Geometry & MOs

Info

ID:	234035
PubChem CID:	92297576
Reduced:	OH18C19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	492.160456
ΔH_f, kcal/mol:	16.71
Dipole, Da:	2.92
IP(EA), eV:	-9.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)ethenyl] 3-methylbenzoate

Drug info:

PubChemData

Smile

C[C@@]1(CC/C(=C/C2=CC=CC=C2)/C1=O)C3=CC=CC=C3

DOS

IR

Vibrations