Geometry & MOs

Info

ID:	245693
PubChem CID:	103022963
Reduced:	ON4C12H24 (1)
Stoich.:	AB4C12D24 (1)
Weight, g/mol:	226.179361
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	6.02
IP(EA), eV:	-9.43(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1CN)CC(C)(C)OC

DOS

IR

Vibrations