Geometry & MOs

Info

ID:	363322
PubChem CID:	127310834
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	8.02
Dipole, Da:	5.26
IP(EA), eV:	-8.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations