Geometry & MOs

Info

ID:	153453
PubChem CID:	56312653
Reduced:	ClSN2O2C23H23 (1)
Stoich.:	ABC2D2E23F23 (1)
Weight, g/mol:	351.174691
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	6.57
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-5-methyl-N-(3-phenylbutyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations