Geometry & MOs

Info

ID:	220900
PubChem CID:	85240314
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	285.121237
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	3.1
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethoxymethyl)-8-methoxycarbonyl-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC(C=NOCC1=CC=CC=C1Cl)O

DOS

IR

Vibrations