Geometry & MOs

Info

ID:	368009
PubChem CID:	127326484
Reduced:	O2N7C18H25 (1)
Stoich.:	A2B7C18D25 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	7.1
IP(EA), eV:	-9.55(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methylcyclohexyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NC(=O)NCC3CCN(CC3)C(=O)C

DOS

IR

Vibrations