Geometry & MOs

Info

ID:	73080
PubChem CID:	48416956
Reduced:	SO2N5C10H11 (1)
Stoich.:	AB2C5D10E11 (1)
Weight, g/mol:	385.153875
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	5.9
IP(EA), eV:	-9.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CSC(=O)N1CCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations