Geometry & MOs

Info

ID:	365585
PubChem CID:	127318094
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	4.18
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-(2-oxopyridin-1-yl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)NCCN2C=CC=CC2=O

DOS

IR

Vibrations