Geometry & MOs

Info

ID:	307582
PubChem CID:	125307574
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	388.251464
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	7.13
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1R)-1-(1-adamantyl)ethyl]-2-(2H-indol-3-yl)-3,4-dimethyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)CC(=N3)CC(=O)OC

DOS

IR

Vibrations