Geometry & MOs

Info

ID:	69701
PubChem CID:	47205201
Reduced:	ClO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	3.71
IP(EA), eV:	-9.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NCC2=CC=NN2)Cl

DOS

IR

Vibrations