Geometry & MOs

Info

ID:	213913
PubChem CID:	81065544
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	304.103477
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	5.12
IP(EA), eV:	-8.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations