Geometry & MOs

Info

ID:	346997
PubChem CID:	127271501
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	4.08
IP(EA), eV:	-8.61(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations