Geometry & MOs

Info

ID:	71010
PubChem CID:	48414175
Reduced:	O2F3N3C10H14 (1)
Stoich.:	A2B3C3D10E14 (1)
Weight, g/mol:	311.059217
ΔH_f, kcal/mol:	-221.31
Dipole, Da:	3.7
IP(EA), eV:	-9.7(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C)OCC(F)(F)F

DOS

IR

Vibrations