Geometry & MOs

Info

ID:	32354
PubChem CID:	6436673
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	111.982826
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	6.74
IP(EA), eV:	-9.5(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-chlorobut-2-enedinitrile

Drug info:

PubChemData

Smile

C/C=C/OCC(CN1C=CN=C1[N+](=O)[O-])O

DOS

IR

Vibrations