Geometry & MOs

Info

ID:	130862
PubChem CID:	51118878
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	5.37
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-N-(2-methylbutan-2-yl)-4-oxopentanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)C4=CN=CO4

DOS

IR

Vibrations