Geometry & MOs

Info

ID:	183083
PubChem CID:	76976787
Reduced:	OSN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	61.7
Dipole, Da:	4.86
IP(EA), eV:	-9.36(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(furan-2-yl)prop-2-enoyl]-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)N=NC2=S)C

DOS

IR

Vibrations