Geometry & MOs

Info

ID:	375982
PubChem CID:	134221981
Reduced:	FNO5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	429.087404
ΔH_f, kcal/mol:	-210.15
Dipole, Da:	11.14
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=CC=CC4=C3OCC4)C(=C1CC(=O)O)C5=CC(=C6C(=C5C)CCCO6)F

DOS

IR

Vibrations