Geometry & MOs

Info

ID:	189312
PubChem CID:	77840369
Reduced:	O2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	8.04
IP(EA), eV:	-9.63(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-prop-2-enylazetidin-3-yl]amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCC1C(NC(=O)N1)C(=O)C2=C(NC=C2)C#N

DOS

IR

Vibrations