Geometry & MOs

Info

ID:	220430
PubChem CID:	85189550
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	4.05
IP(EA), eV:	-9.39(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-4,5-dimethyl-1-oxo-3-propan-2-yl-3,3a,5,7a-tetrahydroisoindole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)O)N(C)C(=O)C(CC2=CC=CC=C2)CC(C)(C)O

DOS

IR

Vibrations