Geometry & MOs

Info

ID:	435437
PubChem CID:	135191467
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	215.034921
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	3.97
IP(EA), eV:	-8.56(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-hydroxy-5-oxo-1,4-dihydroazepine-6-carbonyl chloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1NC)C(=O)NCC2CCCCN2

DOS

IR

Vibrations