Geometry & MOs

Info

ID:	347934
PubChem CID:	127272996
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	2.56
IP(EA), eV:	-9.25(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)C2(CCCC2)O)C

DOS

IR

Vibrations