Geometry & MOs

Info

ID:	27949
PubChem CID:	824274
Reduced:	NO6H11C13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	317.020333
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	5.17
IP(EA), eV:	-10.93(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-chloro-3-nitrophenyl)-5-(furan-2-ylmethylidene)-1H-imidazol-4-one

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O1)C

DOS

IR

Vibrations