Geometry & MOs

Info

ID:	130753
PubChem CID:	51099682
Reduced:	SN3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	5.17
IP(EA), eV:	-9.04(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(oxolan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)[N+](=O)[O-])N(C)CC(=O)NC2CC2

DOS

IR

Vibrations