Geometry & MOs

Info

ID:	256615
PubChem CID:	103140228
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	254.127994
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	6.57
IP(EA), eV:	-9.48(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydrazinyl(isoquinolin-8-yl)methyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CCC(C(=O)O)NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations