Geometry & MOs

Info

ID:	296458
PubChem CID:	117575837
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	255.151767
ΔH_f, kcal/mol:	-59.77
Dipole, Da:	7.46
IP(EA), eV:	-8.92(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]ethanethiol

Drug info:

PubChemData

Smile

CC(CNC1=NC=NC(=C1)NCCN(C)C)C(=O)O

DOS

IR

Vibrations