Geometry & MOs

Info

ID:	439290
PubChem CID:	135229058
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	3.3
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[5-(1H-imidazol-2-ylmethoxy)-2-methylpyrimidin-4-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CCCC[C@H](CO)NC1=NC(=NC=C1OCCCC2=CC=C(C=C2)OC)N

DOS

IR

Vibrations