Geometry & MOs

Info

ID:	213137
PubChem CID:	81062987
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-213.88
Dipole, Da:	6.11
IP(EA), eV:	-9.91(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCNC(=O)C1CCCC1

DOS

IR

Vibrations