Geometry & MOs

Info

ID:	375952
PubChem CID:	134221949
Reduced:	FCl2N2O3C26H27 (1)
Stoich.:	AB2C2D3E26F27 (1)
Weight, g/mol:	435.157677
ΔH_f, kcal/mol:	-151.63
Dipole, Da:	1.32
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]phenyl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCC(/C=C/C1=CC2=C(C=C1)N(C=C2)C(=O)CNC(=O)OC(C)(C)C)C3=CC(=C(C(=C3)Cl)F)Cl

DOS

IR

Vibrations