Geometry & MOs

Info

ID:	238738
PubChem CID:	92765325
Reduced:	N3O3C27H41 (1)
Stoich.:	A3B3C27D41 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-136.24
Dipole, Da:	2.19
IP(EA), eV:	-8.31(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CN4CCN(CC4)CCOC5=CC=C(C=C5)OC

DOS

IR

Vibrations