Geometry & MOs

Info

ID:	264132
PubChem CID:	103431609
Reduced:	FOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	3.64
IP(EA), eV:	-8.55(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(1,4-dimethylpiperazin-2-yl)-4-methylpyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1[C@H](C)O)CSC2=CC=CC=C2F

DOS

IR

Vibrations