Geometry & MOs

Info

ID:	372696
PubChem CID:	131302694
Reduced:	FNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	225.030504
ΔH_f, kcal/mol:	-126.6
Dipole, Da:	2.26
IP(EA), eV:	-8.59(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)F)CC(=O)OC

DOS

IR

Vibrations