Geometry & MOs

Info

ID:	325174
PubChem CID:	126681780
Reduced:	FN4O4C29H35 (1)
Stoich.:	AB4C4D29E35 (1)
Weight, g/mol:	496.26384
ΔH_f, kcal/mol:	-158.43
Dipole, Da:	2.68
IP(EA), eV:	-9.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-2-(3-ethylphenyl)-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)O)F)C4=CC=CC(=C4)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations