Geometry & MOs

Info

ID:	435871
PubChem CID:	135192641
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	2.51
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzoyl-8-ethenyl-2-ethyl-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=CC=C(C=C3)OC

DOS

IR

Vibrations