Geometry & MOs

Info

ID:	185208
PubChem CID:	77270319
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	476.267508
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	5.08
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl)phenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)CC2=CC(=NC3=CC=CC=C32)C(=O)NC4CCOCC4O

DOS

IR

Vibrations