Geometry & MOs

Info

ID:	199535
PubChem CID:	79264419
Reduced:	FNOC4H6 (3)
Stoich.:	ABCD4E6 (3)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-269.63
Dipole, Da:	6.09
IP(EA), eV:	-9.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[phthalazin-1-yl(prop-2-enyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations