Geometry & MOs

Info

ID:	81158
PubChem CID:	49854415
Reduced:	F2O3N5H33C38 (1)
Stoich.:	A2B3C5D33E38 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	6.15
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)N(C(=O)NC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(C6=CC=C(C=C6)F)C7=CC=C(C=C7)F

DOS

IR

Vibrations