Geometry & MOs

Info

ID:	425061
PubChem CID:	135125007
Reduced:	N2O5H30C32 (1)
Stoich.:	A2B5C30D32 (1)
Weight, g/mol:	420.120938
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	6.09
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-difluoro-4-[2-fluoro-5-[2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-4-methyl-6H-1,3-oxazin-2-amine

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C2C=CC(=C3C4=CN=C(C=C4)OC5CCOCC5)C#N

DOS

IR

Vibrations