Geometry & MOs

Info

ID:	417996
PubChem CID:	135103294
Reduced:	ClFOSN3C16H19 (1)
Stoich.:	ABCDE3F16G19 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	4.16
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)N(C)CC(=O)NC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations