Geometry & MOs

Info

ID:	136326
PubChem CID:	52022443
Reduced:	ON7C14H16 (1)
Stoich.:	AB7C14D16 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	102.42
Dipole, Da:	4.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078691
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)C2=CC(=CC=C2)C(=O)NCC[N+]3=CNC=C3

DOS

IR

Vibrations