Geometry & MOs

Info

ID:	183757
PubChem CID:	77064981
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	1.81
IP(EA), eV:	-10.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-4-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1C(=O)NC(CO)CO)C2CC2

DOS

IR

Vibrations