Geometry & MOs

Info

ID:	181834
PubChem CID:	76800810
Reduced:	O3N4C28H36 (1)
Stoich.:	A3B4C28D36 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	8.83
IP(EA), eV:	-8.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-[3-[3-(2-hydroxyethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)C2C3CCC(CC3NN2)C4CC45C6=C(C=CC(=C6)OC)NC5=O

DOS

IR

Vibrations