Geometry & MOs

Info

ID:	282022
PubChem CID:	103914673
Reduced:	N5C13H25 (1)
Stoich.:	A5B13C25 (1)
Weight, g/mol:	237.195346
ΔH_f, kcal/mol:	25.9
Dipole, Da:	2.63
IP(EA), eV:	-8.51(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NCC2=NN(C=N2)C

DOS

IR

Vibrations