Geometry & MOs

Info

ID:	28870
PubChem CID:	830167
Reduced:	SN3O4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	314.105528
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	9.38
IP(EA), eV:	-9.82(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-nitrophenyl)benzo[f]quinoline

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NOC=C3

DOS

IR

Vibrations