Geometry & MOs

Info

ID:	412829
PubChem CID:	135085758
Reduced:	ClOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	4.43
IP(EA), eV:	-9.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-cyanodec-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)C2=CC=CC=C2CCl

DOS

IR

Vibrations