Geometry & MOs

Info

ID:	313691
PubChem CID:	126617290
Reduced:	SO2N5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	334.117824
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	9.04
IP(EA), eV:	-8.97(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-[3-(hydroxymethyl)phenyl]pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(CNC1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O)O

DOS

IR

Vibrations