Geometry & MOs

Info

ID:	61349
PubChem CID:	26708427
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	429.151098
ΔH_f, kcal/mol:	42.35
Dipole, Da:	2.03
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations