Geometry & MOs

Info

ID:	261274
PubChem CID:	103224661
Reduced:	NO4C10H21 (1)
Stoich.:	AB4C10D21 (1)
Weight, g/mol:	232.142307
ΔH_f, kcal/mol:	-194.26
Dipole, Da:	5.56
IP(EA), eV:	-9.63(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-butylamino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)N(CCCO)C(COC)C(=O)O

DOS

IR

Vibrations