Geometry & MOs

Info

ID:	199902
PubChem CID:	79315912
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	68.18
Dipole, Da:	2.31
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azetidin-3-yl)triazol-4-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)CC2=CC=CC=C2C#CCN

DOS

IR

Vibrations