Geometry & MOs

Info

ID:	245692
PubChem CID:	103022960
Reduced:	ON4C10H20 (1)
Stoich.:	AB4C10D20 (1)
Weight, g/mol:	240.195011
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	3.9
IP(EA), eV:	-9.65(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1C(C)(C)OC)CN

DOS

IR

Vibrations