Geometry & MOs

Info

ID:	376170
PubChem CID:	134222175
Reduced:	ClN2F3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	395.061047
ΔH_f, kcal/mol:	-107.73
Dipole, Da:	5.78
IP(EA), eV:	-8.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(Z)-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(/C=C/C2=CC(=C(C=C2)CNC3=CC=CC=N3)Cl)C(F)(F)F

DOS

IR

Vibrations