Geometry & MOs

Info

ID:	51149
PubChem CID:	12013778
Reduced:	ClO2N4H21C27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	390.148061
ΔH_f, kcal/mol:	57.29
Dipole, Da:	1.26
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5-(2-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)N1C(OC(=N1)C2=C3CCC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)Cl)C6=CC=CC=C6

DOS

IR

Vibrations