Geometry & MOs

Info

ID:	152856
PubChem CID:	56311935
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	4.43
IP(EA), eV:	-8.73(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations