Geometry & MOs

Info

ID:	376193
PubChem CID:	134222198
Reduced:	FOCl2N2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	363.256215
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	8.45
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-propan-2-yl-4-[(E)-3-(3,4,5-trimethylphenyl)pent-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(C)/C=C/C2=CC(=C(C=C2)C(=O)NCC3=CN=C(C=C3)Cl)F

DOS

IR

Vibrations