Geometry & MOs

Info

ID:	175900
PubChem CID:	75966493
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	1.69
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylpyrrolidin-2-yl)methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CN1CCCC1CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations