Geometry & MOs

Info

ID:	70185
PubChem CID:	47211574
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	270.115047
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	1.84
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethylsulfanyl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)NCCNC1=NC=CC=N1

DOS

IR

Vibrations