Geometry & MOs

Info

ID:	251551
PubChem CID:	103104834
Reduced:	O4N5C9H13 (1)
Stoich.:	A4B5C9D13 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	4.51
IP(EA), eV:	-10.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC(=O)N)C

DOS

IR

Vibrations