Geometry & MOs

Info

ID:	49485
PubChem CID:	11533101
Reduced:	F3O4H23C28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	480.17731
ΔH_f, kcal/mol:	-251.37
Dipole, Da:	5.75
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-tert-butyl-6-(methoxymethyl)-3-[3-(trifluoromethyl)pyridin-2-yl]-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine

Drug info:

PubChemData

Smile

CCOC(=O)C1(C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)OCC

DOS

IR

Vibrations