Geometry & MOs

Info

ID:	357895
PubChem CID:	127295395
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	393.222784
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	3.96
IP(EA), eV:	-9.12(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(3,4-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)F)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations