Geometry & MOs

Info

ID:	251682
PubChem CID:	103105966
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	283.083602
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	2.57
IP(EA), eV:	-10.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C)C(=O)NC2CCCC2)C(=O)OC

DOS

IR

Vibrations