Geometry & MOs

Info

ID:	30490
PubChem CID:	841409
Reduced:	ON2S2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	41.55
Dipole, Da:	5.67
IP(EA), eV:	-8.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-methyl-1-[(3R)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NN=CC2=CC=C(C=C2)SC

DOS

IR

Vibrations