Geometry & MOs

Info

ID:	171569
PubChem CID:	75394789
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	361.080489
ΔH_f, kcal/mol:	27.16
Dipole, Da:	6.86
IP(EA), eV:	-9.32(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloropyridin-4-yl)methyl 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)CSC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

DOS

IR

Vibrations