Geometry & MOs

Info

ID:	286182
PubChem CID:	104158708
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	198.148061
ΔH_f, kcal/mol:	35.75
Dipole, Da:	10.08
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyltriazol-4-yl)methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)OCCCCNC1=C(N=NC2=CC=CC=C21)C#N

DOS

IR

Vibrations