Geometry & MOs

Info

ID:	182721
PubChem CID:	76930508
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	295.121986
ΔH_f, kcal/mol:	-151.95
Dipole, Da:	6.65
IP(EA), eV:	-9.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-4-[(3-methoxy-2-methylpropyl)carbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)N(C)C(=O)CC1C(=NC(=O)N=C1C)C

DOS

IR

Vibrations