Geometry & MOs

Info

ID:	421851
PubChem CID:	135116721
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-169.48
Dipole, Da:	4.91
IP(EA), eV:	-8.57(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-indazol-1-ylpropyl)-1,2,5-trimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)NC

DOS

IR

Vibrations