Geometry & MOs

Info

ID:	251553
PubChem CID:	103104855
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	1.42
IP(EA), eV:	-9.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(dimethylamino)propyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN2C=CC=CC2=O)C

DOS

IR

Vibrations