Geometry & MOs

Info

ID:	446475
PubChem CID:	135275248
Reduced:	FN3O4C33H34 (1)
Stoich.:	AB3C4D33E34 (1)
Weight, g/mol:	335.132157
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	3.36
IP(EA), eV:	-8.13(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-7-phenylmethoxy-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CCCN1CC(C1)OC2=CN=CC(=C2)N3[C@@H](COC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OCF

DOS

IR

Vibrations