Geometry & MOs

Info

ID:	363359
PubChem CID:	127310893
Reduced:	OSN7C18H21 (1)
Stoich.:	ABC7D18E21 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	97.41
Dipole, Da:	2.33
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCC(C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations