Geometry & MOs

Info

ID:	123835
PubChem CID:	50862930
Reduced:	ClO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	459.167332
ΔH_f, kcal/mol:	22.47
Dipole, Da:	13.46
IP(EA), eV:	-8.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N\NC3=CC=C(C=C3)[N+](=O)[O-])C(CC1(C)C)C

DOS

IR

Vibrations