Geometry & MOs

Info

ID:	210561
PubChem CID:	80823446
Reduced:	BrSN6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	280.164774
ΔH_f, kcal/mol:	78.69
Dipole, Da:	2.35
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]acetamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)N2CCCC2)NCC3=CC=C(S3)Br

DOS

IR

Vibrations