Geometry & MOs

Info

ID:	329960
PubChem CID:	127246947
Reduced:	N5C19H21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	90.66
Dipole, Da:	3.49
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations