Geometry & MOs

Info

ID:	435880
PubChem CID:	135192662
Reduced:	NO3F5H18C22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	-288.18
Dipole, Da:	4.61
IP(EA), eV:	-9.06(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethenyl-2-methyl-4-(4-nitrobenzoyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCC/C=C/C1=C2C(=CC=C1)N(C(=O)C(O2)C)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations