Geometry & MOs

Info

ID:	302721
PubChem CID:	124393492
Reduced:	N2O7C20H26 (1)
Stoich.:	A2B7C20D26 (1)
Weight, g/mol:	382.179361
ΔH_f, kcal/mol:	-283.46
Dipole, Da:	2.42
IP(EA), eV:	-8.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@@H]2C(=C(NC(=O)N2)C)C(=O)OCC)OCC(=O)OCC

DOS

IR

Vibrations