Geometry & MOs

Info

ID:	445563
PubChem CID:	135268086
Reduced:	N5H7C8 (1)
Stoich.:	A5B7C8 (1)
Weight, g/mol:	452.268845
ΔH_f, kcal/mol:	96.42
Dipole, Da:	5.45
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=C2C=CNC2=N1)C#N

DOS

IR

Vibrations