Geometry & MOs

Info

ID:	80622
PubChem CID:	49835584
Reduced:	OF2N4H16C24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	478.158325
ΔH_f, kcal/mol:	50.5
Dipole, Da:	4.55
IP(EA), eV:	-9.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C=N2)C3=NC(=NO3)C4=C(C=CC(=C4)F)F)C5=CC=CC=C5

DOS

IR

Vibrations