Geometry & MOs

Info

ID:	26902
PubChem CID:	803909
Reduced:	NOCl2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	337.132746
ΔH_f, kcal/mol:	-38.45
Dipole, Da:	4.58
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenyl-5-pyridin-4-yl-1H-pyrazol-4-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations