Geometry & MOs

Info

ID:	366582
PubChem CID:	127320111
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	5.35
IP(EA), eV:	-9.19(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-(2-oxopiperidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C(C)N2CCCCCC2

DOS

IR

Vibrations