Geometry & MOs

Info

ID:	162109
PubChem CID:	57393645
Reduced:	N4O5C25H34 (1)
Stoich.:	A4B5C25D34 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-152.84
Dipole, Da:	4.79
IP(EA), eV:	-9.05(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[1-[2-(2-phenylacetyl)oxycyclohexyl]triazol-4-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CC2=CN(N=N2)C3CCCCC3OC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations