Geometry & MOs

Info

ID:	355446
PubChem CID:	127288509
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	3.72
IP(EA), eV:	-9.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations