Geometry & MOs

Info

ID:	439352
PubChem CID:	135229123
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	68.14
Dipole, Da:	2.17
IP(EA), eV:	-9.26(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-methyl-5-[(1-phenylimidazol-4-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC[C@@H](CCO)NC1=NC(=NC=C1OCC2=NC=C=N2)CC

DOS

IR

Vibrations