Geometry & MOs

Info

ID:	289302
PubChem CID:	104344501
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	6.8
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)OC2=CC(=CN=C2)Br

DOS

IR

Vibrations