Geometry & MOs

Info

ID:	85777
PubChem CID:	49879018
Reduced:	FO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	2.55
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-3-(3-methylpyrazol-1-yl)butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations