Geometry & MOs

Info

ID:	337265
PubChem CID:	127256947
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	186.100442
ΔH_f, kcal/mol:	-64.36
Dipole, Da:	4.78
IP(EA), eV:	-9.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-amino-5-oxo-4-(propan-2-ylamino)pent-3-enoic acid

Drug info:

PubChemData

Smile

CCC(=O)/C(=N/OCC1=CC=C(C=C1)OC)/C

DOS

IR

Vibrations