Geometry & MOs

Info

ID:	297067
PubChem CID:	117607524
Reduced:	SN2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	31.24
Dipole, Da:	3.68
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[1-[(2-methylphenyl)methyl]-6-[(5-methylpyridin-2-yl)methoxy]benzimidazol-2-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NSC2=C1CNCC2

DOS

IR

Vibrations