Geometry & MOs

Info

ID:	245691
PubChem CID:	103022951
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	212.163711
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	4.74
IP(EA), eV:	-8.67(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C1=NC2=C(N1)CCCC2N)OC

DOS

IR

Vibrations