Geometry & MOs

Info

ID:	40135
PubChem CID:	8143621
Reduced:	OSN5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	289.136117
ΔH_f, kcal/mol:	96.47
Dipole, Da:	10.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795519
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-4-(pyrrolidin-1-ylmethyl)tetrazole-5-thione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)C5=CC=CC=C5

DOS

IR

Vibrations