Geometry & MOs

Info

ID:	322324
PubChem CID:	126669753
Reduced:	FNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	456.181333
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	3.6
IP(EA), eV:	-8.09(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(naphthalen-1-ylmethyl)-1-[4-[4-(trifluoromethyl)phenyl]quinolin-2-yl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)N2CCCC2)F

DOS

IR

Vibrations