Geometry & MOs

Info

ID:	328745
PubChem CID:	126727216
Reduced:	ClIC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	1.67
Dipole, Da:	2.86
IP(EA), eV:	-9.35(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1H-benzimidazol-2-ylamino)-4-[cyclohexyl(2-methylpropyl)amino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1Cl)I

DOS

IR

Vibrations