Geometry & MOs

Info

ID:	322364
PubChem CID:	126669922
Reduced:	ON2F4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	422.160598
ΔH_f, kcal/mol:	-161.52
Dipole, Da:	5.19
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-N-[[4-[4-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(F)(F)F)NCC4=CC(=CC(=C4)F)OC

DOS

IR

Vibrations