Geometry & MOs

Info

ID:	198465
PubChem CID:	79104544
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	52.1
Dipole, Da:	2.21
IP(EA), eV:	-8.63(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-(propylamino)propyl]pyrrol-1-yl]butanenitrile

Drug info:

PubChemData

Smile

CCNC(C1CC1)C2=CN(C=C2)CCC3=CC=CC=C3

DOS

IR

Vibrations