Geometry & MOs

Info

ID:	275975
PubChem CID:	103819593
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	329.107479
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	5.4
IP(EA), eV:	-9.31(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N2CCC(CC2)C(C)O

DOS

IR

Vibrations