Geometry & MOs

Info

ID:	247466
PubChem CID:	103071607
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	28.44
Dipole, Da:	7.4
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(tert-butylamino)methyl]prop-2-enyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CNCC(=C)CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31

DOS

IR

Vibrations