Geometry & MOs

Info

ID:	128251
PubChem CID:	51036837
Reduced:	O4N7C36H41 (1)
Stoich.:	A4B7C36D41 (1)
Weight, g/mol:	417.115651
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	2.5
IP(EA), eV:	-8.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-5-(2-ethyl-5-pyrazin-2-ylpyrazol-3-yl)-1H-indole

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2CCCO2)C3=NC=C(N3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N=C6)NC[C@H]7CCN(C7)C(=O)C8CCCO8

DOS

IR

Vibrations