Geometry & MOs

Info

ID:	392860
PubChem CID:	135018201
Reduced:	O4N5C15H15 (1)
Stoich.:	A4B5C15D15 (1)
Weight, g/mol:	309.133808
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	11.06
IP(EA), eV:	-9.59(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)C2=NNN(C2=N1)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations