Geometry & MOs

Info

ID:	182719
PubChem CID:	76930506
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	6.6
IP(EA), eV:	-9.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[but-2-enoyl(methyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)N(C)C(=O)C=CC1=CC=CC=C1

DOS

IR

Vibrations