Geometry & MOs

Info

ID:	432072
PubChem CID:	135172204
Reduced:	SF3O4N5C24H32 (1)
Stoich.:	AB3C4D5E24F32 (1)
Weight, g/mol:	457.334465
ΔH_f, kcal/mol:	-290.76
Dipole, Da:	7.04
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-butylphenyl)-3,7-bis(2-methylbutan-2-yl)-4a,10a-dihydrophenoxazine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)OC)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations