Geometry & MOs

Info

ID:	391325
PubChem CID:	135004338
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-93.43
Dipole, Da:	4.77
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-ethyl-6-methyl-2-(4-methylphenyl)-5-oxo-7H-pyrrolizine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2CC3(CCCCC3)C(=O)N2C=C1C4=CC=CC=C4

DOS

IR

Vibrations