Geometry & MOs

Info

ID:	438430
PubChem CID:	135228171
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	303.204573
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	2.64
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-2-(3-methyl-3-propan-2-yloxybutoxy)propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COCCN1C(=O)C=CC=C1CO

DOS

IR

Vibrations