Geometry & MOs

Info

ID:	370799
PubChem CID:	127340603
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	2.59
IP(EA), eV:	-8.71(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations