Geometry & MOs

Info

ID:	133360
PubChem CID:	51515349
Reduced:	SN4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	381.229051
ΔH_f, kcal/mol:	89.51
Dipole, Da:	11.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.991424
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[(2-anilino-2-oxoacetyl)amino]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCCC[NH+]=C1NNC(=C2C=NC3=CC=CC=C32)[C@H](S1)C

DOS

IR

Vibrations