Geometry & MOs

Info

ID:	366959
PubChem CID:	127321945
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	375.134066
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	6.09
IP(EA), eV:	-9.32(0.46)
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-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCCC2(C1)CCC=CC2)N3C=CC=N3

DOS

IR

Vibrations