Geometry & MOs

Info

ID:	350095
PubChem CID:	127276968
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	2.65
IP(EA), eV:	-8.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2CC(=O)NC(=O)NC3CC3

DOS

IR

Vibrations