Geometry & MOs

Info

ID:	448319
PubChem CID:	135290095
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	3.55
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCCC3=CN=CC=C3

DOS

IR

Vibrations