Geometry & MOs

Info

ID:	414574
PubChem CID:	135087533
Reduced:	ClN2O4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	331.1606
ΔH_f, kcal/mol:	-178.64
Dipole, Da:	3.57
IP(EA), eV:	-9.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2CCC3(CC2)CN(C(=O)CCO3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations