Geometry & MOs

Info

ID:	66444
PubChem CID:	46504586
Reduced:	N3O7C33H37 (1)
Stoich.:	A3B7C33D37 (1)
Weight, g/mol:	482.216535
ΔH_f, kcal/mol:	-191.53
Dipole, Da:	5.73
IP(EA), eV:	-8.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC(=C(C=C6)OC)OC

DOS

IR

Vibrations