Geometry & MOs

Info

ID:	146873
PubChem CID:	53764473
Reduced:	NSCl3O3H18C23 (1)
Stoich.:	ABC3D3E18F23 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-58.36
Dipole, Da:	4.09
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-nitropyridin-2-yl)-3-[[(2R)-1-prop-2-enylpyrrolidin-2-yl]methyl]-1H-indol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SCC2=NC(=C(C=C2)OCCC3=CC=C(C=C3)Cl)C=CC(=O)O)Cl

DOS

IR

Vibrations