Geometry & MOs

Info

ID:	256685
PubChem CID:	103140694
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	5.72
IP(EA), eV:	-9.54(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-methyloxolan-2-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CSC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations