Geometry & MOs

Info

ID:	414542
PubChem CID:	135087501
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	330.18559
ΔH_f, kcal/mol:	-134.23
Dipole, Da:	4.9
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpiperidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)CCCS(=O)(=O)N)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations