Geometry & MOs

Info

ID:	361645
PubChem CID:	127303977
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	56.71
Dipole, Da:	5.87
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopropyl-1,2,4-triazol-3-yl)-N,N-dimethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=CC=C5CCC6=C5C4=CC=C6

DOS

IR

Vibrations