Geometry & MOs

Info

ID:	30485
PubChem CID:	841403
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	10.31
Dipole, Da:	1.49
IP(EA), eV:	-8.52(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations