Geometry & MOs

Info

ID:	369416
PubChem CID:	127333351
Reduced:	N5O5C16H25 (1)
Stoich.:	A5B5C16D25 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-235.23
Dipole, Da:	1.21
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)CN2C(=O)NC(=O)C2(C)C

DOS

IR

Vibrations