Geometry & MOs

Info

ID:	198575
PubChem CID:	79120384
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	4.43
IP(EA), eV:	-9.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N(C)C2CCC(=O)CC2

DOS

IR

Vibrations