Geometry & MOs

Info

ID:	256993
PubChem CID:	103142962
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-10.38
Dipole, Da:	3.55
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-[(5-methyloxolan-2-yl)methyl]triazol-4-amine

Drug info:

PubChemData

Smile

CC1CC(CS1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations