Geometry & MOs

Info

ID:	203364
PubChem CID:	79820385
Reduced:	SN2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	300.047712
ΔH_f, kcal/mol:	47.51
Dipole, Da:	0.54
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(=CCCNC1CC1)CC2=NC=CS2

DOS

IR

Vibrations