Geometry & MOs

Info

ID:	439314
PubChem CID:	135229084
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	5.77
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4R)-octan-4-yl]-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CN1CC=O)O

DOS

IR

Vibrations