Geometry & MOs

Info

ID:	46231
PubChem CID:	10523435
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	374.126657
ΔH_f, kcal/mol:	-233.83
Dipole, Da:	4.03
IP(EA), eV:	-9.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-methyl-2-phenyl-4,4a,10a,11-tetrahydronaphtho[3,2-f]indazole-3,5,10-trione

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)N(C3=O)CC4=CC=CC=C4)CO)C

DOS

IR

Vibrations