Geometry & MOs

Info

ID:	168142
PubChem CID:	74929265
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	387.219829
ΔH_f, kcal/mol:	35.08
Dipole, Da:	1.29
IP(EA), eV:	-8.91(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-adamantyl)-2-phenoxyethyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)OCC(C2=CC=CC=C2)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations