Geometry & MOs

Info

ID:	356540
PubChem CID:	127291762
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	388.208611
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	3.01
IP(EA), eV:	-8.98(-0.44)
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-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=C4C(=CC=C3)OCO4)C

DOS

IR

Vibrations