Geometry & MOs

Info

ID:	282835
PubChem CID:	103941454
Reduced:	SN3O4C10H13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	9.21
IP(EA), eV:	-9.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(3,4-dihydro-2H-quinolin-1-yl)-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)N2CCNC(=O)C2)[N+](=O)[O-])O

DOS

IR

Vibrations