Geometry & MOs

Info

ID:	421402
PubChem CID:	135115921
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	5.62
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC=C(O2)CN(CCO)CC3=NC=CN3

DOS

IR

Vibrations