Geometry & MOs

Info

ID:	221143
PubChem CID:	85256992
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	7.5
IP(EA), eV:	-9.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-methyl-3-(4-methylphenyl)-6-oxo-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(C(=O)OC1(C)C)(C)C=CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations