Geometry & MOs

Info

ID:	40602
PubChem CID:	8144402
Reduced:	ClN7C21H22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	117.34
Dipole, Da:	1.75
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)N/N=C\C3=CC(=CC=C3)Cl)NC4=CC=CC=C4

DOS

IR

Vibrations