Geometry & MOs

Info

ID:	260774
PubChem CID:	103203421
Reduced:	N2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	106.22
Dipole, Da:	5.84
IP(EA), eV:	-8.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-methoxyethoxy)butylamino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations