Geometry & MOs

Info

ID:	123786
PubChem CID:	50862104
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	397.19209
ΔH_f, kcal/mol:	50.38
Dipole, Da:	7.03
IP(EA), eV:	-8.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=N\NC3=C(C=CC=N3)[N+](=O)[O-])C(CC1(C)C)C

DOS

IR

Vibrations