Geometry & MOs

Info

ID:	124296
PubChem CID:	50877221
Reduced:	ClN3C16H24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	305.101171
ΔH_f, kcal/mol:	0.78
Dipole, Da:	8.16
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-hydroxyethylamino)-7-nitroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1C2=C(C=C(C=C2)Cl)N=C1CCCCCN

DOS

IR

Vibrations