Geometry & MOs

Info

ID:	80977
PubChem CID:	49854188
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	405.335528
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	4.04
IP(EA), eV:	-8.59(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-cyclooctylethyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN[C@H](CN1CC(=O)NCCCC2CCCC2)C

DOS

IR

Vibrations