Geometry & MOs

Info

ID:	154380
PubChem CID:	56313803
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	337.15904
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	6.16
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CSC(=N1)C2=CC=CC=C2OC)C3=CC=CC=C3

DOS

IR

Vibrations