Geometry & MOs

Info

ID:	254321
PubChem CID:	103124282
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-84.5
Dipole, Da:	3.26
IP(EA), eV:	-9.18(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-hydroxybutan-2-yl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)N2C=CNC2=O

DOS

IR

Vibrations