Geometry & MOs

Info

ID:	343586
PubChem CID:	127266759
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	15.42
Dipole, Da:	5.95
IP(EA), eV:	-8.65(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylpyridin-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NCC2(CCCC2)C3=CC=CC=C3OC

DOS

IR

Vibrations