Geometry & MOs

Info

ID:	159329
PubChem CID:	57269577
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	449.173942
ΔH_f, kcal/mol:	-151.79
Dipole, Da:	2.77
IP(EA), eV:	-10.15(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(isoquinolin-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC(C)C(C)O

DOS

IR

Vibrations