Geometry & MOs

Info

ID:	422582
PubChem CID:	135118078
Reduced:	NSF2O5C16H19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	280.145474
ΔH_f, kcal/mol:	-265.97
Dipole, Da:	5.62
IP(EA), eV:	-10.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations