Geometry & MOs

Info

ID:	264954
PubChem CID:	103504560
Reduced:	FSN4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	27.87
Dipole, Da:	4.13
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)N3CCC4=C3C=C(C=C4)F

DOS

IR

Vibrations