Geometry & MOs

Info

ID:	199547
PubChem CID:	79265296
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-199.66
Dipole, Da:	3.24
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(ethylamino)butanoyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)C1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations