Geometry & MOs

Info

ID:	375944
PubChem CID:	134221941
Reduced:	BrOF3N4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	250.073613
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	8.53
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-6-methyl-3-[(E)-1,1,1-trifluoropent-3-en-2-yl]cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CC(=NC2=O)N)C(/C=C/C3=CC(=C(C=C3)CN)Br)C(F)(F)F

DOS

IR

Vibrations