Geometry & MOs

Info

ID:	31341
PubChem CID:	855597
Reduced:	N6C19H28 (1)
Stoich.:	A6B19C28 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	89.12
Dipole, Da:	7.75
IP(EA), eV:	-8.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations