Geometry & MOs

Info

ID:	439286
PubChem CID:	135229054
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	1.28
IP(EA), eV:	-8.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-5-[(1,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=NC(=NC=C1O)NC(=C)C

DOS

IR

Vibrations