Geometry & MOs

Info

ID:	342150
PubChem CID:	127264863
Reduced:	N2O3F5C13H15 (1)
Stoich.:	A2B3C5D13E15 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-380.67
Dipole, Da:	6.32
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3-methoxypropyl)pyrazol-3-yl]ethenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C[C@@H](CO)N(C)C(=O)NC1=CC(=C(C=C1)OC(F)F)C(F)(F)F

DOS

IR

Vibrations