Geometry & MOs

Info

ID:	204802
PubChem CID:	80010713
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	5.4
IP(EA), eV:	-9.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1(CCNC1)C(=O)NCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations