Geometry & MOs

Info

ID:	69276
PubChem CID:	46530561
Reduced:	O2S2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	345.069175
ΔH_f, kcal/mol:	-9.34
Dipole, Da:	4.25
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC2=C(OC(=N2)C3=CC=CC=C3)C)CC(=O)N

DOS

IR

Vibrations