Geometry & MOs

Info

ID:	185303
PubChem CID:	77284130
Reduced:	OSN9C22H25 (1)
Stoich.:	ABC9D22E25 (1)
Weight, g/mol:	462.168335
ΔH_f, kcal/mol:	108.17
Dipole, Da:	3.87
IP(EA), eV:	-8.8(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-chlorophenyl)imidazol-1-yl]-4-ethyl-1-methyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

Drug info:

PubChemData

Smile

CCC1C2=NN=C(N2C3=CN=C(N=C3N1C4CCCOC4)C5=C(N(N=C5)C)C6=NC=CS6)C

DOS

IR

Vibrations