Geometry & MOs

Info

ID:	133226
PubChem CID:	51495718
Reduced:	ON3C21H26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	33.49
Dipole, Da:	9.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.172389
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2-methoxy-7-methylquinolin-3-yl)methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C[NH+](C)[C@@H](C)CC3=CC=CC=N3)OC

DOS

IR

Vibrations