Geometry & MOs

Info

ID:	292315
PubChem CID:	114916598
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	6.48
IP(EA), eV:	-9.51(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-(prop-2-ynoylamino)butanoic acid

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations