Geometry & MOs

Info

ID:	356588
PubChem CID:	127291814
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	5.62
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations