Geometry & MOs

Info

ID:	165790
PubChem CID:	74598804
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	453.244999
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	3.52
IP(EA), eV:	-8.68(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-7-methyl-2,3,4a,5,6,7,8,9a-octahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

DOS

IR

Vibrations