Geometry & MOs

Info

ID:	358991
PubChem CID:	127297183
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	5.27
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)-2-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)C3=NC(=C(C=C3)C#N)C

DOS

IR

Vibrations