Geometry & MOs

Info

ID:	322362
PubChem CID:	126669914
Reduced:	ClN7C20H30 (1)
Stoich.:	AB7C20D30 (1)
Weight, g/mol:	454.142361
ΔH_f, kcal/mol:	62.35
Dipole, Da:	3.44
IP(EA), eV:	-8.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-chlorophenyl)-N-[1-[4-[4-(trifluoromethyl)phenyl]quinolin-2-yl]ethyl]ethanamine

Drug info:

PubChemData

Smile

CC1CN(C(CN1C)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations