Geometry & MOs

Info

ID:	32682
PubChem CID:	7847124
Reduced:	NO2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	1.77
IP(EA), eV:	-9.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations