Geometry & MOs

Info

ID:	318991
PubChem CID:	126654074
Reduced:	ClN2H16C17 (2)
Stoich.:	AB2C16D17 (2)
Weight, g/mol:	440.289974
ΔH_f, kcal/mol:	112.75
Dipole, Da:	6.02
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(methylamino)-1-[(4-methylpiperazin-1-yl)amino]-1-oxohexan-2-yl]-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C=C(C1=CC=CC(=C1)CN2CCC(CC2)C3=C4C=C(C=CC4=NN3)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)N

DOS

IR

Vibrations