Geometry & MOs

Info

ID:	252562
PubChem CID:	103112299
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	1.16
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=O)C2=C(C=CS2)NC1=S

DOS

IR

Vibrations