Geometry & MOs

Info

ID:	285218
PubChem CID:	104098689
Reduced:	ClO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	306.088353
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	5.97
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-[(2-ethylpyrazol-3-yl)methylamino]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=C(C=C3C(=C2)OCC(=O)N3)Cl

DOS

IR

Vibrations