Geometry & MOs

Info

ID:	123836
PubChem CID:	50862931
Reduced:	ClO4N5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	411.20774
ΔH_f, kcal/mol:	26.06
Dipole, Da:	15.42
IP(EA), eV:	-8.56(-1.42)
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-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations