Geometry & MOs

Info

ID:	139092
PubChem CID:	52470615
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	393.229051
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	6.79
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@H]3CC(=O)N(C3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations