Geometry & MOs

Info

ID:	161821
PubChem CID:	57392777
Reduced:	ClFN4O4H18C24 (1)
Stoich.:	ABC4D4E18F24 (1)
Weight, g/mol:	315.102606
ΔH_f, kcal/mol:	-134.2
Dipole, Da:	10.73
IP(EA), eV:	-8.86(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[(3R,5S)-3,5-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C3=C(C2=O)NC(=O)C=C3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations