Geometry & MOs

Info

ID:	267743
PubChem CID:	103587424
Reduced:	F2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	302.01178
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	1.99
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1F)C(=C3CCCCCC3=N2)NN)F

DOS

IR

Vibrations