Geometry & MOs

Info

ID:	439331
PubChem CID:	135229102
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	370.175339
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	4.33
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(6-cyanopyridin-2-yl)methoxy]-4-[[(2S)-1-hydroxypentan-2-yl]amino]pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=NC(=NC=C1OCC2=C(C(=O)C=CN2)OC)C

DOS

IR

Vibrations