Geometry & MOs

Info

ID:	349828
PubChem CID:	127276220
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	363.288577
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	4.86
IP(EA), eV:	-8.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[1-oxo-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations