Geometry & MOs

Info

ID:	323402
PubChem CID:	126674704
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	439.114376
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	7.76
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-cyanophenoxy)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2(CC2)C(=O)O)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations