Geometry & MOs

Info

ID:	156492
PubChem CID:	56370834
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	384.23254
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	8.33
IP(EA), eV:	-8.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations