Geometry & MOs

Info

ID:	353753
PubChem CID:	127285330
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-146.59
Dipole, Da:	5.32
IP(EA), eV:	-9.03(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-12-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)CCC(=O)N3CCOCC3

DOS

IR

Vibrations