Geometry & MOs

Info

ID:	360998
PubChem CID:	127301862
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	28.49
Dipole, Da:	5.88
IP(EA), eV:	-9.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=NN1)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations