Geometry & MOs

Info

ID:	313591
PubChem CID:	126616096
Reduced:	BrNO4C24H30 (1)
Stoich.:	ABC4D24E30 (1)
Weight, g/mol:	570.147698
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	2.75
IP(EA), eV:	-8.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=C(N=C(C(=C1C2=CC3=C(C=C2)OCCC3)Br)C)C)OC(C)(C)C

DOS

IR

Vibrations