Geometry & MOs

Info

ID:	393712
PubChem CID:	135021546
Reduced:	N2O2C10H19 (2)
Stoich.:	A2B2C10D19 (2)
Weight, g/mol:	504.04337
ΔH_f, kcal/mol:	-204.8
Dipole, Da:	3.62
IP(EA), eV:	-8.63(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(iodomethyl)-5,10-dimethoxy-9-phenylmethoxy-3,4-dihydrobenzo[g]isochromen-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([C@H]1C(=O)OC)CCN=C(N(C)C)N(C)C

DOS

IR

Vibrations