Geometry & MOs

Info

ID:	149844
PubChem CID:	53789523
Reduced:	PF2O3C5H6 (2)
Stoich.:	AB2C3D5E6 (2)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-426.68
Dipole, Da:	2.2
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oct-1-enylamino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CP(=O)(OF)OF)C(F)(F)P(=O)(O)O)C

DOS

IR

Vibrations