Geometry & MOs

Info

ID:	142618
PubChem CID:	53067877
Reduced:	FON5H16C21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	338.154289
ΔH_f, kcal/mol:	52.52
Dipole, Da:	4.64
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=NN(C(=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations