Geometry & MOs

Info

ID:	40114
PubChem CID:	8143585
Reduced:	OS2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	45.33
Dipole, Da:	5.2
IP(EA), eV:	-8.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)tetrazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCCC3

DOS

IR

Vibrations