Geometry & MOs

Info

ID:	210212
PubChem CID:	80774623
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	13.06
Dipole, Da:	4.69
IP(EA), eV:	-8.32(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,2-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC=NC(=C2C)N

DOS

IR

Vibrations