Geometry & MOs

Info

ID:	352995
PubChem CID:	127284116
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-48.46
Dipole, Da:	6.35
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)CC2=C(N=C3C=CNN3C2=O)C

DOS

IR

Vibrations