Geometry & MOs

Info

ID:	425673
PubChem CID:	135127304
Reduced:	F2N3O7C19H19 (1)
Stoich.:	A2B3C7D19E19 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-340.53
Dipole, Da:	6.62
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(6-tert-butyl-2H-indazol-3-yl)-2-methylpropan-2-yl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)NC3=NC(=O)N(C=C3)C4C([C@H](C(O4)CO)O)(F)F)OCCO2

DOS

IR

Vibrations