Geometry & MOs

Info

ID:	251892
PubChem CID:	103107602
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	4.3
IP(EA), eV:	-8.91(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(3-chloroanilino)-3-oxopropyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1CCCCC1OC

DOS

IR

Vibrations