Geometry & MOs

Info

ID:	205643
PubChem CID:	80131638
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	1.88
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxetan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCC(=O)N2)NCC3(COC3)C

DOS

IR

Vibrations