Geometry & MOs

Info

ID:	123218
PubChem CID:	50837962
Reduced:	FN4O4H19C23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	425.119399
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	3.88
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[(4-chlorophenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CN2C=C(C=CC2=O)C3=NC(=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations