Geometry & MOs

Info

ID:	136821
PubChem CID:	52107204
Reduced:	ClN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	5.92
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Cl)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations