Geometry & MOs

Info

ID:	175294
PubChem CID:	75880422
Reduced:	ClF2N2O4C21H21 (1)
Stoich.:	AB2C2D4E21F21 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-240.77
Dipole, Da:	4.65
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[3-(2,4,5-trimethylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC(F)F)NC(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations