Geometry & MOs

Info

ID:	358683
PubChem CID:	127296473
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	3.87
IP(EA), eV:	-8.81(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-propoxyazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2CC(=O)N(C2)CCN3CCOCC3

DOS

IR

Vibrations