Geometry & MOs

Info

ID:	280113
PubChem CID:	103846948
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	197.014664
ΔH_f, kcal/mol:	16.65
Dipole, Da:	5.93
IP(EA), eV:	-8.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-3-(5-nitrothiophen-2-yl)prop-2-enal

Drug info:

PubChemData

Smile

C1C=CCN1C2=CC=C(C=C2)C=O

DOS

IR

Vibrations