Geometry & MOs

Info

ID:	416482
PubChem CID:	135089497
Reduced:	F2N2O2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	4.8
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-quinoxalin-2-yl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations