Geometry & MOs

Info

ID:	249644
PubChem CID:	103091083
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	1.65
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2CCOCC2)C=C(C)C(C)O

DOS

IR

Vibrations