Geometry & MOs

Info

ID:	193067
PubChem CID:	78337603
Reduced:	ClN2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	349.997345
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	1.27
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC(=N4)C)OC5CCC(CC5C3=O)Cl

DOS

IR

Vibrations