Geometry & MOs

Info

ID:	327136
PubChem CID:	126689072
Reduced:	O2N7C19H23 (1)
Stoich.:	A2B7C19D23 (1)
Weight, g/mol:	389.093104
ΔH_f, kcal/mol:	2.53
Dipole, Da:	5.26
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-[(E)-2-(2-chloro-3-nitrophenyl)ethenyl]benzimidazole

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)CCNC(=O)N

DOS

IR

Vibrations