Geometry & MOs

Info

ID:	422409
PubChem CID:	135117788
Reduced:	ON2C22H34 (1)
Stoich.:	AB2C22D34 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	2.45
IP(EA), eV:	-8.3(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[(E)-3-phenylprop-2-enoyl]-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCC(CC2)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations