Geometry & MOs

Info

ID:	149699
PubChem CID:	53789373
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	542.205301
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	5.44
IP(EA), eV:	-9.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[[4-(3,4-dimethoxyphenyl)-6-methylquinolin-3-yl]amino]-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(C(=O)C2=O)C(=O)NC(C=O)C3=CC=CS3

DOS

IR

Vibrations