Geometry & MOs

Info

ID:	358294
PubChem CID:	127295839
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	3.3
IP(EA), eV:	-8.96(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1-phenylpyrrolidin-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations