Geometry & MOs

Info

ID:	38608
PubChem CID:	8137234
Reduced:	ClO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	405.120382
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	2.29
IP(EA), eV:	-9.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)O[C@@H](C)C(=O)N(C)C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations