Geometry & MOs

Info

ID:	41103
PubChem CID:	8145243
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	385.00759
ΔH_f, kcal/mol:	-122.33
Dipole, Da:	0.87
IP(EA), eV:	-8.14(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)[C@@](NC3=O)(C)CCC(C)C

DOS

IR

Vibrations