Geometry & MOs

Info

ID:	252778
PubChem CID:	103114053
Reduced:	O2N5C13H23 (1)
Stoich.:	A2B5C13D23 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	5.12
IP(EA), eV:	-9.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[2-(butylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC(=NC(=C1)N)COCC

DOS

IR

Vibrations