Geometry & MOs

Info

ID:	26463
PubChem CID:	649130
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	253.136117
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	2.56
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations