Geometry & MOs

Info

ID:	417913
PubChem CID:	135103048
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	317.232794
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	6.03
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCC2)NC3=NC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations