Geometry & MOs

Info

ID:	69713
PubChem CID:	47205227
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	3.95
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-N-(1H-pyrazol-5-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations