Geometry & MOs

Info

ID:	363991
PubChem CID:	127313660
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	7.45
IP(EA), eV:	-9.18(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations