Geometry & MOs

Info

ID:	157523
PubChem CID:	56435526
Reduced:	FO2N5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	10.94
IP(EA), eV:	-8.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations