Geometry & MOs

Info

ID:	154191
PubChem CID:	56313596
Reduced:	FO2N7H22C25 (1)
Stoich.:	AB2C7D22E25 (1)
Weight, g/mol:	490.194023
ΔH_f, kcal/mol:	71.98
Dipole, Da:	3.46
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations