Geometry & MOs

Info

ID:	346847
PubChem CID:	127271351
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	7.09
IP(EA), eV:	-9.03(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)C(=O)C2CCCN2C

DOS

IR

Vibrations