Geometry & MOs

Info

ID:	352354
PubChem CID:	127283441
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-122.99
Dipole, Da:	2.25
IP(EA), eV:	-9.04(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCC3CCCO3)C

DOS

IR

Vibrations