Geometry & MOs

Info

ID:

320615

PubChem CID:

126662075

Reduced:

O3N5C31H45 (1)

Stoich.:

A3B5C31D45 (1)

Weight, g/mol:

492.382812

ΔHf, kcal/mol:

-113.09

Dipole, Da:

3.79

IP(EA), eV:

 -8.42(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-butyl-4-[4-[2-[1-[N-methyl-C-[(2-methylpropylideneamino)methyl]carbonimidoyl]piperidin-4-yl]ethyl]phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N(CC)CCCCOC2=CC=C(C=C2)C3=CCC(CC3)C(=O)NCCC(CC)C(=O)N

DOS

IR

Vibrations