Geometry & MOs

Info

ID:	352803
PubChem CID:	127283892
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	380.193629
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	2.81
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCCC3CN4CCCC4

DOS

IR

Vibrations