Geometry & MOs

Info

ID:	259101
PubChem CID:	103158215
Reduced:	ClNOF2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-146.46
Dipole, Da:	1.31
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dimethylphenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=C(C=C2Cl)F)F)O

DOS

IR

Vibrations