Geometry & MOs

Info

ID:	203330
PubChem CID:	79814320
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-20.23
Dipole, Da:	3.89
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=NC=C(N1)C2=CC=C(C=C2)CCOC)N

DOS

IR

Vibrations