Geometry & MOs

Info

ID:	418355
PubChem CID:	135104298
Reduced:	ClON4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-6.89
Dipole, Da:	4.21
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(=O)N(CCN(C)C)CC2=CN=CN2

DOS

IR

Vibrations