Geometry & MOs

Info

ID:	422866
PubChem CID:	135118537
Reduced:	OF3N3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-161.5
Dipole, Da:	6.0
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[3-(2-ethoxyethoxy)benzoyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)CO

DOS

IR

Vibrations