Geometry & MOs

Info

ID:

168445

PubChem CID:

74968709

Reduced:

O13N31C58H101 (1)

Stoich.:

A13B31C58D101 (1)

Weight, g/mol:

458.256943

ΔHf, kcal/mol:

-462.0

Dipole, Da:

12.22

IP(EA), eV:

 -8.79(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N1CCCC1C(=O)N2CCCC2C(=O)C3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O

DOS

IR

Vibrations