Geometry & MOs

Info

ID:	287689
PubChem CID:	104251919
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	280.226312
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	2.48
IP(EA), eV:	-8.6(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CC1CCCCO1)C2=C(N=CC=C2)N

DOS

IR

Vibrations