Geometry & MOs

Info

ID:	352374
PubChem CID:	127283461
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	2.78
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations