Geometry & MOs

Info

ID:	123821
PubChem CID:	50862692
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	7.46
Dipole, Da:	8.06
IP(EA), eV:	-7.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=N\NC(=O)C3=CC=CC=N3)C(CC1(C)C)C

DOS

IR

Vibrations