Geometry & MOs

Info

ID:	218741
PubChem CID:	85089894
Reduced:	N2O4C12H15 (2)
Stoich.:	A2B4C12D15 (2)
Weight, g/mol:	502.231516
ΔH_f, kcal/mol:	-195.76
Dipole, Da:	9.41
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetyloxy-2-methoxy-5-[2-(6-methoxy-1H-indol-3-yl)ethyliminomethyl]-6-(2-methoxy-2-oxoethyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC3=C(C=C2)OCO3)N4C=C(N=C4)[N+](=O)[O-]

DOS

IR

Vibrations