Geometry & MOs

Info

ID:	74858
PubChem CID:	48422601
Reduced:	NSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	5.12
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC1=CC=CC=C1)CC2=CC=CS2)OCC3CC3

DOS

IR

Vibrations