Geometry & MOs

Info

ID:	126142
PubChem CID:	50952996
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	324.115317
ΔH_f, kcal/mol:	22.64
Dipole, Da:	6.7
IP(EA), eV:	-9.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCCC2=NC(=O)NN2)C

DOS

IR

Vibrations