Geometry & MOs

Info

ID:	124561
PubChem CID:	50887321
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	370.12772
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	6.06
IP(EA), eV:	-9.23(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)OCC2=CC=CC=C2)/C=C\3/C(=NOC3=O)C

DOS

IR

Vibrations