Geometry & MOs

Info

ID:	252060
PubChem CID:	103108801
Reduced:	O2N3C10H21 (1)
Stoich.:	A2B3C10D21 (1)
Weight, g/mol:	288.098918
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	6.15
IP(EA), eV:	-8.98(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[4-(methylamino)-4-oxobutyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(=O)N(C)C

DOS

IR

Vibrations