Geometry & MOs

Info

ID:	366571
PubChem CID:	127320100
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-173.58
Dipole, Da:	4.67
IP(EA), eV:	-9.56(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)CC2(CCCCC2)O)C

DOS

IR

Vibrations