Geometry & MOs

Info

ID:	376211
PubChem CID:	134222219
Reduced:	ClNF4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	407.126376
ΔH_f, kcal/mol:	-173.24
Dipole, Da:	3.69
IP(EA), eV:	-9.4(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC=C(C=C2)CN)C(F)(F)F

DOS

IR

Vibrations