Geometry & MOs

Info

ID:	283204
PubChem CID:	103964039
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	46.66
Dipole, Da:	7.1
IP(EA), eV:	-9.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylthiophen-2-yl)methyl]-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

CC1(CC1NC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-])C

DOS

IR

Vibrations