Geometry & MOs

Info

ID:	407537
PubChem CID:	135080284
Reduced:	N2H14C15 (1)
Stoich.:	A2B14C15 (1)
Weight, g/mol:	153.035863
ΔH_f, kcal/mol:	61.2
Dipole, Da:	1.96
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-deuterio-4-thiophen-2-ylbut-3-en-2-one

Drug info:

PubChemData

Smile

CCC1=CNC2=C1C=C(C=N2)C3=CC=CC=C3

DOS

IR

Vibrations