Geometry & MOs

Info

ID:	438384
PubChem CID:	135228120
Reduced:	N2P2O8C9H12 (1)
Stoich.:	A2B2C8D9E12 (1)
Weight, g/mol:	303.204573
ΔH_f, kcal/mol:	-402.17
Dipole, Da:	3.57
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)N=CN2CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations