Geometry & MOs

Info

ID:	352765
PubChem CID:	127283854
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	3.72
IP(EA), eV:	-8.33(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(CCC2)C(=O)CN3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations