Geometry & MOs

Info

ID:	427340
PubChem CID:	135157337
Reduced:	ClFO3N4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	439.193614
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	6.88
IP(EA), eV:	-9.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3,5-diphenylphenyl)-6-methyl-6H-benzo[c][1,5]benzoxazepine

Drug info:

PubChemData

Smile

C#CC[C@H](C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)C3=NNN=C3)C(=O)O

DOS

IR

Vibrations