Geometry & MOs

Info

ID:	427445
PubChem CID:	135158994
Reduced:	O2N7C26H31 (1)
Stoich.:	A2B7C26D31 (1)
Weight, g/mol:	406.179361
ΔH_f, kcal/mol:	19.0
Dipole, Da:	3.8
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E)-2-methoxy-1-(methylamino)-3-(4-phenylphenyl)buta-1,3-dienyl]-3H-benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=NN(C(C3O)C4=NC5=C(N4)C=C6CNCC6=C5)C

DOS

IR

Vibrations