Geometry & MOs

Info

ID:	371968
PubChem CID:	131283159
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	185.990614
ΔH_f, kcal/mol:	25.46
Dipole, Da:	6.37
IP(EA), eV:	-9.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-1-(5-methylthiophen-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1[N+](=O)[O-])CC#N)N

DOS

IR

Vibrations