Geometry & MOs

Info

ID:	203188
PubChem CID:	79791695
Reduced:	NF3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	304.067091
ΔH_f, kcal/mol:	-310.72
Dipole, Da:	1.69
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carbamoylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(C)(C(=O)O)C(F)(F)F)OC

DOS

IR

Vibrations