Geometry & MOs

Info

ID:	261724
PubChem CID:	103247487
Reduced:	N2O3C10H18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-139.31
Dipole, Da:	5.85
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NC/C=C(/C)\C(=O)O

DOS

IR

Vibrations