Geometry & MOs

Info

ID:	304023
PubChem CID:	124491433
Reduced:	ON5C8H13 (1)
Stoich.:	AB5C8D13 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	16.28
Dipole, Da:	3.0
IP(EA), eV:	-9.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[1-[(3R)-pyrrolidin-3-yl]triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CN(N=N1)[C@@H]2CCNC2

DOS

IR

Vibrations