Geometry & MOs

Info

ID:	260768
PubChem CID:	103203126
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	100.08
Dipole, Da:	1.96
IP(EA), eV:	-9.11(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-bromo-2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNCC2=CNN=C2

DOS

IR

Vibrations