Geometry & MOs

Info

ID:	136096
PubChem CID:	51978184
Reduced:	N2O4C21H23 (1)
Stoich.:	A2B4C21D23 (1)
Weight, g/mol:	362.160598
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	8.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.882446
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)C(=O)[O-]

DOS

IR

Vibrations