Geometry & MOs

Info

ID:	289935
PubChem CID:	104389238
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	4.25
IP(EA), eV:	-8.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-aminoisoquinolin-5-yl)amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)OC)NC(C)C(=O)NC2CC2

DOS

IR

Vibrations