Geometry & MOs

Info

ID:	367368
PubChem CID:	127324320
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	0.94
IP(EA), eV:	-8.99(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations