Geometry & MOs

Info

ID:	352522
PubChem CID:	127283610
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	5.25
IP(EA), eV:	-8.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-(4-methylidenepiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCC(=C)CC3)C

DOS

IR

Vibrations