Geometry & MOs

Info

ID:	363078
PubChem CID:	127310109
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	34.69
Dipole, Da:	3.93
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations