Geometry & MOs

Info

ID:	233363
PubChem CID:	89853742
Reduced:	CNO3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	393.230394
ΔH_f, kcal/mol:	-317.13
Dipole, Da:	0.47
IP(EA), eV:	-10.88(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4aR,5S,10bR)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]-3-methylbenzoate

Drug info:

PubChemData

Smile

C(N)(O)(O)O.C(N)(O)(O)O

DOS

IR

Vibrations