Geometry & MOs

Info

ID:	213274
PubChem CID:	81063303
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	5.06
IP(EA), eV:	-9.87(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-carbamoylphenoxy)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations