Geometry & MOs

Info

ID:	336318
PubChem CID:	127255325
Reduced:	O3N4H22C28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-18.65
Dipole, Da:	2.7
IP(EA), eV:	-8.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)hexanamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)CN4C5C6=CC=CC=C6C(=O)N5C7=CC=CC=C7C4=O

DOS

IR

Vibrations