Geometry & MOs

Info

ID:	337798
PubChem CID:	127258421
Reduced:	O2C16H29 (2)
Stoich.:	A2B16C29 (2)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-311.74
Dipole, Da:	6.12
IP(EA), eV:	-10.62(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,3E)-2-[(2-chlorophenyl)methylidene]-3-hydroxyiminobutanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CC(=O)OC1CCC2CCCCC2C1)C(=O)O

DOS

IR

Vibrations