Geometry & MOs

Info

ID:	196745
PubChem CID:	78873691
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	1.95
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(O2)C(=CC=C3)OC

DOS

IR

Vibrations