Geometry & MOs

Info

ID:	272525
PubChem CID:	103744477
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	208.107259
ΔH_f, kcal/mol:	25.68
Dipole, Da:	3.19
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyltriazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)CNCCC3=NC=NO3

DOS

IR

Vibrations