Geometry & MOs

Info

ID:	134019
PubChem CID:	51625895
Reduced:	FN6C26H27 (1)
Stoich.:	AB6C26D27 (1)
Weight, g/mol:	484.258674
ΔH_f, kcal/mol:	113.94
Dipole, Da:	6.99
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[(R)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)[C@H](C3=CC=CC=C3)C4=NN=NN4CC5=CC=C(C=C5)F

DOS

IR

Vibrations