Geometry & MOs

Info

ID:	27027
PubChem CID:	812838
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	270.115698
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	4.12
IP(EA), eV:	-9.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzo[f]quinolin-3-ylaniline

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](C1)C2=NC(=NO2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations