Geometry & MOs

Info

ID:

186101

PubChem CID:

77390501

Reduced:

N7O7C25H27 (1)

Stoich.:

A7B7C25D27 (1)

Weight, g/mol:

598.298014

ΔHf, kcal/mol:

-210.65

Dipole, Da:

4.02

IP(EA), eV:

 -9.13(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2,4-difluorophenyl)-5-[1-[[4-(tetrazolidin-5-yl)phenyl]methyl]piperidin-4-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)COC(=O)NCCCN5C(=O)C6=CC=CC=C6C5=O)C

DOS

IR

Vibrations