Geometry & MOs

Info

ID:	59959
PubChem CID:	26512257
Reduced:	N2O3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	355.202168
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	4.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759170
Charge, e:	1

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+](C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations