Geometry & MOs

Info

ID:	367139
PubChem CID:	127323425
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-97.5
Dipole, Da:	2.26
IP(EA), eV:	-8.67(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations