Geometry & MOs

Info

ID:	282021
PubChem CID:	103914672
Reduced:	N5C11H21 (1)
Stoich.:	A5B11C21 (1)
Weight, g/mol:	251.210996
ΔH_f, kcal/mol:	36.73
Dipole, Da:	2.56
IP(EA), eV:	-8.55(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NCC2=NN(C=N2)C

DOS

IR

Vibrations