Geometry & MOs

Info

ID:	31342
PubChem CID:	855598
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	54.54
Dipole, Da:	9.55
IP(EA), eV:	-8.87(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(2-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)[C@@H](C2=CC=CC=C2OC)N3CCN(CC3)C

DOS

IR

Vibrations