Geometry & MOs

Info

ID:	260766
PubChem CID:	103203041
Reduced:	N2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	46.21
Dipole, Da:	5.9
IP(EA), eV:	-8.68(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(3-methoxyphenyl)ethylamino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations