Geometry & MOs

Info

ID:	152309
PubChem CID:	56311214
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	11.89
IP(EA), eV:	-8.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations