Geometry & MOs

Info

ID:	366954
PubChem CID:	127321940
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	31.84
Dipole, Da:	2.54
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations