Geometry & MOs

Info

ID:	183210
PubChem CID:	76991976
Reduced:	BrFN2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-188.59
Dipole, Da:	1.52
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxycyclopentyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C(C)C(=O)O)C(=O)NC(=O)NC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations