Geometry & MOs

Info

ID:	439300
PubChem CID:	135229068
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	59.22
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCCCNC1=NC(=NC=C1CCC2=NN=CC=C2)N

DOS

IR

Vibrations