Geometry & MOs

Info

ID:	381962
PubChem CID:	134972843
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	2.92
IP(EA), eV:	-8.77(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,4aS,5S)-5-methoxycarbonyl-1,2,5-trimethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations