Geometry & MOs

Info

ID:	342416
PubChem CID:	127265239
Reduced:	FNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	220.051574
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	5.16
IP(EA), eV:	-9.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloro-2-methylpyrazol-3-yl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)N2CCCC2CO

DOS

IR

Vibrations