Geometry & MOs

Info

ID:	318574
PubChem CID:	126651990
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	5.11
IP(EA), eV:	-8.95(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,2-dimethylpropanoyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1CCCC[C@H]1C(=O)NCCN2CCNCC2

DOS

IR

Vibrations