Geometry & MOs

Info

ID:	123808
PubChem CID:	50862608
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	398.176106
ΔH_f, kcal/mol:	-74.97
Dipole, Da:	7.59
IP(EA), eV:	-7.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoic acid

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=N/NC(=O)COC3=CC=CC=C3OC)C(CC1(C)C)C

DOS

IR

Vibrations