Geometry & MOs

Info

ID:	289059
PubChem CID:	104333038
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-35.46
Dipole, Da:	3.32
IP(EA), eV:	-9.18(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1(CCCNC1)CNC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations