Geometry & MOs

Info

ID:	160271
PubChem CID:	57309617
Reduced:	N2F3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-199.55
Dipole, Da:	2.49
IP(EA), eV:	-9.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)OCC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations