Geometry & MOs

Info

ID:	352377
PubChem CID:	127283464
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	4.11
IP(EA), eV:	-8.29(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5)C

DOS

IR

Vibrations