Geometry & MOs

Info

ID:	205917
PubChem CID:	80176976
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	293.106336
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	5.81
IP(EA), eV:	-9.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-4-[(2-methyloxolane-2-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)NCC2=CC(=CC=C2)/C=C/C(=O)O

DOS

IR

Vibrations