Geometry & MOs

Info

ID:	217158
PubChem CID:	85087349
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	3.29
IP(EA), eV:	-8.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-(2-phenylethyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CC(=O)C4=C3C=CC(=C4)N5CCCC5

DOS

IR

Vibrations