Geometry & MOs

Info

ID:	70930
PubChem CID:	48414061
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	1.4
IP(EA), eV:	-8.33(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations