Geometry & MOs

Info

ID:	419160
PubChem CID:	135107645
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	361.204179
ΔH_f, kcal/mol:	18.91
Dipole, Da:	4.13
IP(EA), eV:	-8.68(-0.25)
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]-(2,3-dihydro-1H-inden-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC3=NOC(=C3)C4CC4

DOS

IR

Vibrations