Geometry & MOs

Info

ID:	252489
PubChem CID:	103111751
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	4.49
IP(EA), eV:	-9.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCOCC2)CN

DOS

IR

Vibrations