Geometry & MOs

Info

ID:	199182
PubChem CID:	79210282
Reduced:	BrFN2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	-80.24
Dipole, Da:	6.27
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations