Geometry & MOs

Info

ID:	261268
PubChem CID:	103224626
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	306.98778
ΔH_f, kcal/mol:	-176.75
Dipole, Da:	3.6
IP(EA), eV:	-9.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromothiophen-3-yl)methyl-methylamino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)NC)C(COC)C(=O)O

DOS

IR

Vibrations