Geometry & MOs

Info

ID:	213336
PubChem CID:	81063482
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	287.096914
ΔH_f, kcal/mol:	-174.85
Dipole, Da:	4.08
IP(EA), eV:	-8.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(difluoromethoxy)benzoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)COC1=C(C=C(C=C1)C)Br

DOS

IR

Vibrations