Geometry & MOs

Info

ID:	251495
PubChem CID:	103104401
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	287.03817
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	4.61
IP(EA), eV:	-8.83(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)C(C)C)N(CC)CC(=O)N

DOS

IR

Vibrations