Geometry & MOs

Info

ID:	279550
PubChem CID:	103844304
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	267.133139
ΔH_f, kcal/mol:	-75.13
Dipole, Da:	3.05
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC=CNC2=O)O

DOS

IR

Vibrations