Geometry & MOs

Info

ID:	165892
PubChem CID:	74610381
Reduced:	O2N5C23H42 (1)
Stoich.:	A2B5C23D42 (1)
Weight, g/mol:	386.280752
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752844
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCN(C)C1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCOCC3

DOS

IR

Vibrations