Geometry & MOs

Info

ID:	271214
PubChem CID:	103648006
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	33.96
Dipole, Da:	4.19
IP(EA), eV:	-9.77(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations