Geometry & MOs

Info

ID:	128652
PubChem CID:	51053347
Reduced:	OS2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	50.14
Dipole, Da:	4.01
IP(EA), eV:	-9.21(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations