Geometry & MOs

Info

ID:	416211
PubChem CID:	135089221
Reduced:	NO2S2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	254.154289
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	5.18
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations