Geometry & MOs

Info

ID:	123888
PubChem CID:	50863931
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	7.75
IP(EA), eV:	-8.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)C(CC1(C)C)C

DOS

IR

Vibrations