Geometry & MOs

Info

ID:	84677
PubChem CID:	49869288
Reduced:	ClN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	4.99
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazatricyclo[4.3.1.13,8]undecan-4-yl)-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CC3CC4CC2CN(C4)C3

DOS

IR

Vibrations