Geometry & MOs

Info

ID:	147298
PubChem CID:	53786953
Reduced:	FC33H35 (1)
Stoich.:	AB33C35 (1)
Weight, g/mol:	660.390263
ΔH_f, kcal/mol:	67.18
Dipole, Da:	2.07
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-octadec-9-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)CCC)F

DOS

IR

Vibrations