Geometry & MOs

Info

ID:	133225
PubChem CID:	51495717
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	336.207587
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	6.97
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)CN(C)[C@@]3(CCS(=O)(=O)C3)C)OC

DOS

IR

Vibrations