Geometry & MOs

Info

ID:	322336
PubChem CID:	126669808
Reduced:	ClN3C22H30 (1)
Stoich.:	AB3C22D30 (1)
Weight, g/mol:	440.209993
ΔH_f, kcal/mol:	60.6
Dipole, Da:	1.38
IP(EA), eV:	-7.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]quinolin-4-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CN1CC(N(CC(=C1C=C)C=C)C2CCNCC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations