Geometry & MOs

Info

ID:	407465
PubChem CID:	135080181
Reduced:	NOF2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-146.19
Dipole, Da:	0.56
IP(EA), eV:	-9.56(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-(3-propan-2-ylpyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](N1)CO)CC(F)F

DOS

IR

Vibrations