Geometry & MOs

Info

ID:	390767
PubChem CID:	135000826
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	327.219829
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	2.86
IP(EA), eV:	-9.41(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4aS,7aR)-1-benzyl-4-methylidene-3,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(=C)[C@H]2CCC[C@H]2C1C3=CC=CC=C3

DOS

IR

Vibrations