Geometry & MOs

Info

ID:	279551
PubChem CID:	103844305
Reduced:	O3N5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	3.17
IP(EA), eV:	-9.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxypyrimidin-2-yl)amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CNC1=C(C(=NC=N1)NC2CCC(CC2)O)[N+](=O)[O-]

DOS

IR

Vibrations