Geometry & MOs

Info

ID:	168277
PubChem CID:	74944128
Reduced:	N2C29H38 (1)
Stoich.:	A2B29C38 (1)
Weight, g/mol:	484.172225
ΔH_f, kcal/mol:	27.67
Dipole, Da:	3.27
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC12CCC3C4CCC(CC4CCC3C1CC=C2C5=CC6=C(C=C5)C=CN=C6)N(C)C

DOS

IR

Vibrations