Geometry & MOs

Info

ID:	308390
PubChem CID:	125326860
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	19.47
Dipole, Da:	2.19
IP(EA), eV:	-9.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2H-indol-3-yl)-2-(2-methoxyethyl)-1-oxoisoquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)C2=C(N=NC2)C3=C(C=CC(=C3)C)O

DOS

IR

Vibrations