Geometry & MOs

Info

ID:	402351
PubChem CID:	135055657
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	5.68
IP(EA), eV:	-9.21(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-7-(4-methoxyphenyl)-8a-methyl-1,2,3,8-tetrahydroindolizin-5-one

Drug info:

PubChemData

Smile

C[C@@]12CCCN1C(=O)C=C(C2)C3=CC=CC=C3

DOS

IR

Vibrations