Geometry & MOs

Info

ID:	325371
PubChem CID:	126682957
Reduced:	BrN3O6C28H34 (1)
Stoich.:	AB3C6D28E34 (1)
Weight, g/mol:	427.06305
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	3.04
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C45CC(C4)(C5)NC(=O)OC(C)(C)C)Br)C

DOS

IR

Vibrations