Geometry & MOs

Info

ID:	281895
PubChem CID:	103914509
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	265.226646
ΔH_f, kcal/mol:	-3.46
Dipole, Da:	1.32
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1O)NCC2=NC=C(S2)C

DOS

IR

Vibrations