Geometry & MOs

Info

ID:	151707
PubChem CID:	56269729
Reduced:	ClN3O5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	469.157246
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	7.07
IP(EA), eV:	-9.65(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-indol-3-yl)-1-[3-(5-methylpyrazol-1-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations