Geometry & MOs

Info

ID:	70987
PubChem CID:	48414147
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	7.6
IP(EA), eV:	-9.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations