Geometry & MOs

Info

ID:	70977
PubChem CID:	48414133
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	3.03
IP(EA), eV:	-9.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations