Geometry & MOs

Info

ID:	200376
PubChem CID:	79379819
Reduced:	F2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-104.59
Dipole, Da:	7.79
IP(EA), eV:	-9.78(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

DOS

IR

Vibrations