Geometry & MOs

Info

ID:	133993
PubChem CID:	51623824
Reduced:	N2O2C19H29 (1)
Stoich.:	A2B2C19D29 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	4.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992974
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C#C)OC[C@@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)O

DOS

IR

Vibrations