Geometry & MOs

Info

ID:	445573
PubChem CID:	135268216
Reduced:	N6H24C25 (1)
Stoich.:	A6B24C25 (1)
Weight, g/mol:	439.200825
ΔH_f, kcal/mol:	155.91
Dipole, Da:	6.92
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5CC=CC=C5

DOS

IR

Vibrations