Geometry & MOs

Info

ID:	159622
PubChem CID:	57288546
Reduced:	Cl2O2N3H31C33 (1)
Stoich.:	A2B2C3D31E33 (1)
Weight, g/mol:	412.176007
ΔH_f, kcal/mol:	29.41
Dipole, Da:	6.57
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1CN(CC(C1C2=CC=C(C=C2)CCC3=NN=C(O3)C4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5)C(Cl)Cl

DOS

IR

Vibrations