Geometry & MOs

Info

ID:	345760
PubChem CID:	127270060
Reduced:	N2O2C17H30 (1)
Stoich.:	A2B2C17D30 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	0.32
IP(EA), eV:	-9.09(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations