Geometry & MOs

Info

ID:	214154
PubChem CID:	81087092
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	5.0
IP(EA), eV:	-9.2(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C)CCN(C)C(=O)CC(C)CN

DOS

IR

Vibrations