Geometry & MOs

Info

ID:	123834
PubChem CID:	50862929
Reduced:	SN2C24H32 (1)
Stoich.:	AB2C24D32 (1)
Weight, g/mol:	414.182254
ΔH_f, kcal/mol:	24.1
Dipole, Da:	5.92
IP(EA), eV:	-7.85(-0.22)
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]-4-nitroaniline

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)C=NC3=CC=CC=C3SC)C(CC1(C)C)C

DOS

IR

Vibrations