Geometry & MOs

Info

ID:	358821
PubChem CID:	127296689
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-142.38
Dipole, Da:	6.12
IP(EA), eV:	-9.11(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[3-methyl-2-(4-methylidenepiperidine-1-carbonyl)thieno[2,3-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCCC2C(=O)N3CCC(=C)CC3)OC

DOS

IR

Vibrations