Geometry & MOs

Info

ID:	199874
PubChem CID:	79311635
Reduced:	SN4C16H30 (1)
Stoich.:	AB4C16D30 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	1.32
Dipole, Da:	2.64
IP(EA), eV:	-8.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 1-(azetidin-3-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SC(=N1)N(C)CC2CCCN2C)CNC

DOS

IR

Vibrations