Geometry & MOs

Info

ID:	269028
PubChem CID:	103606197
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	157.110279
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	2.86
IP(EA), eV:	-9.47(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(tert-butylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCONC(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations