Geometry & MOs

Info

ID:	163053
PubChem CID:	57581495
Reduced:	OSN5H21C23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	366.124739
ΔH_f, kcal/mol:	95.93
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C2=NC=CS2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations