Geometry & MOs

Info

ID:	31863
PubChem CID:	3721584
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	438.254338
ΔH_f, kcal/mol:	-28.0
Dipole, Da:	5.73
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-[(2-methoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CCOCC=C

DOS

IR

Vibrations