Geometry & MOs

Info

ID:	345766
PubChem CID:	127270066
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-108.61
Dipole, Da:	6.12
IP(EA), eV:	-9.06(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCN(CC1)C(=O)C2CCCCCC2

DOS

IR

Vibrations