Geometry & MOs

Info

ID:	207435
PubChem CID:	80395394
Reduced:	ON5C12H23 (1)
Stoich.:	AB5C12D23 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	2.81
IP(EA), eV:	-8.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCCOC1=NC=NC(=C1N)N(C)CCCNC

DOS

IR

Vibrations