Geometry & MOs

Info

ID:	406575
PubChem CID:	135078095
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	11.07
Dipole, Da:	2.15
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dibutyl-5-methoxy-1,2-dihydroisoindole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=N[C@@H](COCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations