Geometry & MOs

Info

ID:	313754
PubChem CID:	126617422
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	303.11201
ΔH_f, kcal/mol:	15.01
Dipole, Da:	9.53
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-benzylpyrazol-4-yl)-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCCNC1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O

DOS

IR

Vibrations