Geometry & MOs

Info

ID:	363107
PubChem CID:	127310138
Reduced:	O3N6C18H22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	7.59
IP(EA), eV:	-8.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CC3=C(N=C4C=CNN4C3=O)C

DOS

IR

Vibrations