Geometry & MOs

Info

ID:	352766
PubChem CID:	127283855
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	6.65
Dipole, Da:	5.56
IP(EA), eV:	-9.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations