Geometry & MOs

Info

ID:	182030
PubChem CID:	76830949
Reduced:	FN2O2H17C24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	458.137731
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	9.65
IP(EA), eV:	-8.38(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl)-4-fluorophenyl]-1-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC(=CNC4=CC(=CC=C4)F)C3=CC2=O

DOS

IR

Vibrations