Geometry & MOs

Info

ID:	135100
PubChem CID:	51813730
Reduced:	NO2C12H20 (2)
Stoich.:	AB2C12D20 (2)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-211.38
Dipole, Da:	3.49
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-tert-butyl-2-[(2-hydroxyacetyl)-propylamino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCC(=O)N(CCC)[C@@H](C1=CC(=C(C=C1)O)OC)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations