Geometry & MOs

Info

ID:	171961
PubChem CID:	75446132
Reduced:	ON7C22H31 (1)
Stoich.:	AB7C22D31 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	42.58
Dipole, Da:	3.04
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CN=C(N=C3)N4CCOCC4

DOS

IR

Vibrations