Geometry & MOs

Info

ID:	80978
PubChem CID:	49854189
Reduced:	O2N3C24H43 (1)
Stoich.:	A2B3C24D43 (1)
Weight, g/mol:	317.227869
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	2.79
IP(EA), eV:	-8.89(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-difluorocyclohexyl)-2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1CCCCCCC1)N2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations