Geometry & MOs

Info

ID:	154734
PubChem CID:	56314249
Reduced:	OF3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	434.192961
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	5.0
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N(C)CCCCCC2=CC(=NN2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations