Geometry & MOs

Info

ID:	198467
PubChem CID:	79104909
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	3.42
IP(EA), eV:	-8.76(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(CC)C1=CN(C=C1)CC(=O)NC(C)C

DOS

IR

Vibrations