Geometry & MOs

Info

ID:	372177
PubChem CID:	131294176
Reduced:	BrN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	267.986941
ΔH_f, kcal/mol:	3.23
Dipole, Da:	2.15
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[3-chloro-4-(difluoromethoxy)phenyl]propan-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C=CC(=C2C1)[C@@H](CN)N)Br

DOS

IR

Vibrations