Geometry & MOs

Info

ID:	439346
PubChem CID:	135229117
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	3.13
Dipole, Da:	4.52
IP(EA), eV:	-8.02(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[2-amino-5-(pyridin-3-ylmethoxy)pyrimidin-4-yl]amino]hept-4-yn-1-ol

Drug info:

PubChemData

Smile

CCCC(CCO)NC1=NC(=NC=C1OC/C(=C/N(C)C2=CC=CC=C2)/N=C)N

DOS

IR

Vibrations