Geometry & MOs

Info

ID:	356572
PubChem CID:	127291798
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	4.89
IP(EA), eV:	-8.96(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3)C(C)(C)C)C

DOS

IR

Vibrations