Geometry & MOs

Info

ID:	122766
PubChem CID:	50820515
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	411.144373
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	5.08
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2OC4=CC=C(C=C4)OC)N(C(=O)N3C)C

DOS

IR

Vibrations