Geometry & MOs

Info

ID:	335800
PubChem CID:	127254662
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	5.41
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(1-methylindol-3-yl)ethyl]-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations