Geometry & MOs

Info

ID:	352159
PubChem CID:	127283227
Reduced:	ClSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	3.12
IP(EA), eV:	-9.5(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[(2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC=CC=C2Cl)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations