Geometry & MOs

Info

ID:	59430
PubChem CID:	24864252
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	4.55
IP(EA), eV:	-10.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3Z,8R)-1-(2-methoxyphenyl)-8-methyl-2,5,6,7-tetrahydroazocine-8-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1(C(=O)OC(=N1)C2=CC=CC=C2)C

DOS

IR

Vibrations