Geometry & MOs

Info

ID:	422871
PubChem CID:	135118543
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-75.06
Dipole, Da:	4.88
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN2CCC(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations