Geometry & MOs

Info

ID:	214051
PubChem CID:	81065931
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	302.107813
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	6.75
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=NC2=CC=CC=C2C=C1C#N

DOS

IR

Vibrations