Geometry & MOs

Info

ID:	310498
PubChem CID:	126580877
Reduced:	ON2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	456.038307
ΔH_f, kcal/mol:	-6.56
Dipole, Da:	2.19
IP(EA), eV:	-7.92(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-chloropyrazol-1-yl)-3-ethylsulfonylpyridin-2-yl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

Drug info:

PubChemData

Smile

CC/C(=N\O/C=C(\C)/N)/C

DOS

IR

Vibrations