Geometry & MOs

Info

ID:	309669
PubChem CID:	126553455
Reduced:	FN6H19C27 (1)
Stoich.:	AB6C19D27 (1)
Weight, g/mol:	290.068287
ΔH_f, kcal/mol:	190.9
Dipole, Da:	5.86
IP(EA), eV:	-8.56(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-2-(2,3-dihydrotetrazol-1-yl)phenyl]-6-methoxypyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CC=C=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N)/C=C23

DOS

IR

Vibrations