Geometry & MOs

Info

ID:	251482
PubChem CID:	103104279
Reduced:	ClON6C10H17 (1)
Stoich.:	ABC6D10E17 (1)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	4.17
IP(EA), eV:	-9.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations