Geometry & MOs

Info

ID:	73270
PubChem CID:	48417329
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	293.12766
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	4.13
IP(EA), eV:	-9.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(1H-indol-3-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations