Geometry & MOs

Info

ID:	48173
PubChem CID:	10537692
Reduced:	PCl2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	234.02554
ΔH_f, kcal/mol:	10.27
Dipole, Da:	3.84
IP(EA), eV:	-8.84(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-bromonon-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C2CCCCC2C(P=C1)(Cl)Cl

DOS

IR

Vibrations