Geometry & MOs

Info

ID:	36378
PubChem CID:	8004606
Reduced:	N3O3C21H28 (1)
Stoich.:	A3B3C21D28 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-85.46
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889332
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(furan-2-yl)ethanimine

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations