Geometry & MOs

Info

ID:	213500
PubChem CID:	81063922
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	271.102
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	5.38
IP(EA), eV:	-9.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations