Geometry & MOs

Info

ID:	223353
PubChem CID:	85334903
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-153.23
Dipole, Da:	1.49
IP(EA), eV:	-9.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(=O)OCCO)N)O

DOS

IR

Vibrations