Geometry & MOs

Info

ID:	344448
PubChem CID:	127267624
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	364.141452
ΔH_f, kcal/mol:	34.22
Dipole, Da:	4.41
IP(EA), eV:	-9.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-propan-2-ylpyrimidin-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)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations