Geometry & MOs

Info

ID:	285217
PubChem CID:	104098685
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	306.088353
ΔH_f, kcal/mol:	-151.47
Dipole, Da:	2.94
IP(EA), eV:	-9.19(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-[(1-ethylpyrazol-4-yl)methylamino]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(CO)(CO)NCC1=CC=C(O1)COC

DOS

IR

Vibrations