Geometry & MOs

Info

ID:	159206
PubChem CID:	57264377
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	-162.65
Dipole, Da:	0.77
IP(EA), eV:	-9.25(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-phenyloxiran-2-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

COC(=O)CCNCCC1(COCCO1)CC2=CC=CC=C2

DOS

IR

Vibrations