Geometry & MOs

Info

ID:	43768
PubChem CID:	10321761
Reduced:	ClOF2N4H21C24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	454.129549
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	2.52
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=C(C(=CC=C3)Cl)C(F)F)NC(=O)CCC#N

DOS

IR

Vibrations