Geometry & MOs

Info

ID:	237050
PubChem CID:	92717066
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	2.51
IP(EA), eV:	-8.42(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC2=CC=CC=C2N1CCCOC3=C(C=C(C=C3)CC=C)OC)O

DOS

IR

Vibrations