Geometry & MOs

Info

ID:	173517
PubChem CID:	75647796
Reduced:	ON3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	377.150132
ΔH_f, kcal/mol:	45.82
Dipole, Da:	7.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.130234
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=N[N+]2=C(C1C3=CC=CC4=CC=CC=C43)NC5=C(C2=O)CCCC5

DOS

IR

Vibrations