Geometry & MOs

Info

ID:	158907
PubChem CID:	57244182
Reduced:	N2O3C16H32 (1)
Stoich.:	A2B3C16D32 (1)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	-187.47
Dipole, Da:	3.6
IP(EA), eV:	-8.85(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,8a-tetrahydro-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)CNCC(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations