Geometry & MOs

Info

ID:	127295
PubChem CID:	50997508
Reduced:	O2F3N3C24H30 (1)
Stoich.:	A2B3C3D24E30 (1)
Weight, g/mol:	372.075596
ΔH_f, kcal/mol:	-231.16
Dipole, Da:	5.32
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-3-oxo-2-piperidin-4-ylidene-4H-1,4-benzoxazin-8-yl)-3-methylurea;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NC(=C2C(CCCC(F)(F)F)C(=O)OC)C)N3CCCCC3

DOS

IR

Vibrations