Geometry & MOs

Info

ID:	13782
PubChem CID:	398148
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	-15.84
Dipole, Da:	3.94
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N

DOS

IR

Vibrations