Geometry & MOs

Info

ID:	272580
PubChem CID:	103748560
Reduced:	ClN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	2.47
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1-methyltriazol-4-yl)methylamino]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)NCC2=C(C=CC=C2Cl)OC

DOS

IR

Vibrations