Geometry & MOs

Info

ID:	40815
PubChem CID:	8144745
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	356.203468
ΔH_f, kcal/mol:	-90.3
Dipole, Da:	6.5
IP(EA), eV:	-9.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-thione

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations