Geometry & MOs

Info

ID:	342944
PubChem CID:	127266107
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	30.77
Dipole, Da:	5.16
IP(EA), eV:	-9.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CN=C2N=C(NN2C1)C(=O)NCC3=CC(=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations