Geometry & MOs

Info

ID:	367944
PubChem CID:	127326119
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	1.95
IP(EA), eV:	-8.45(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(C)C(=O)N3CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations