Geometry & MOs

Info

ID:	58200
PubChem CID:	24434767
Reduced:	Cl2O2N4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	0.87
Dipole, Da:	2.75
IP(EA), eV:	-9.14(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-2,4-dimethyl-5-[1-[2-[2-(2-methylbenzimidazol-1-yl)acetyl]hydrazinyl]ethylidene]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC/C(=C\1/C=C(C=C(C1=O)Cl)Cl)/NNC(=O)CN2C(=NC3=CC=CC=C32)C

DOS

IR

Vibrations