Geometry & MOs

Info

ID:	302833
PubChem CID:	124397179
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	1.07
IP(EA), eV:	-8.6(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-3,5,6,7-tetrahydrocyclopenta[f]isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](CCNC)C2=CC=CC=C2

DOS

IR

Vibrations