Geometry & MOs

Info

ID:	257601
PubChem CID:	103147295
Reduced:	F2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	309.105561
ΔH_f, kcal/mol:	-220.21
Dipole, Da:	5.03
IP(EA), eV:	-10.09(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2,2-difluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCCC(=O)CCOCC(F)F

DOS

IR

Vibrations