Geometry & MOs

Info

ID:	374279
PubChem CID:	131326123
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	209.06522
ΔH_f, kcal/mol:	-158.66
Dipole, Da:	3.73
IP(EA), eV:	-10.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-2-ethyl-5-formylbenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1CBr)C(=O)O)CCC(=O)O

DOS

IR

Vibrations