Geometry & MOs

Info

ID:	133361
PubChem CID:	51515374
Reduced:	O2N4C22H29 (1)
Stoich.:	A2B4C22D29 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	17.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762646
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-phenyloxamide

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC=CC=C3)[NH+](C)C

DOS

IR

Vibrations