Geometry & MOs

Info

ID:	69708
PubChem CID:	47205220
Reduced:	F2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	4.98
IP(EA), eV:	-9.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)F)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations