Geometry & MOs

Info

ID:	134501
PubChem CID:	51707442
Reduced:	N3O3H25C31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	487.189592
ΔH_f, kcal/mol:	28.72
Dipole, Da:	3.12
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,10bR)-1'-benzyl-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3[C@@H](C2)C4=CC=CC=C4O[C@@]35C6=CC=CC=C6N(C5=O)CC7=CC=CC=C7

DOS

IR

Vibrations