Geometry & MOs

Info

ID:	217887
PubChem CID:	85088536
Reduced:	FO2N4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	408.160456
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	5.64
IP(EA), eV:	-8.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2-methylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1C2C(CC(C1N3CC4CCCC(C4C3)N)F)C(=O)NC(=O)N2C5CC5

DOS

IR

Vibrations