Geometry & MOs

Info

ID:	412995
PubChem CID:	135085939
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	240.97543
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	1.71
IP(EA), eV:	-9.88(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-azidoselenophen-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H]2C[C@@H]([C@@H]1CCC#C)C=C2

DOS

IR

Vibrations