Geometry & MOs

Info

ID:	364315
PubChem CID:	127315414
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-109.73
Dipole, Da:	8.11
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylcyclohexyl)oxy-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN(CC1)C(=O)C2=CC=CC=N2)OC3CCCC3

DOS

IR

Vibrations