Geometry & MOs

Info

ID:	194764
PubChem CID:	78587872
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	1.94
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CCCCC1)OC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations