Geometry & MOs

Info

ID:	344444
PubChem CID:	127267620
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	3.03
Dipole, Da:	3.81
IP(EA), eV:	-9.31(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CCC3=CC=CC=N3

DOS

IR

Vibrations