Geometry & MOs

Info

ID:	165731
PubChem CID:	74587966
Reduced:	FOSN3C23H27 (1)
Stoich.:	ABCD3E23F27 (1)
Weight, g/mol:	338.230448
ΔH_f, kcal/mol:	0.24
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136667
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-N-[(1-methylpyrrolidin-1-ium-2-yl)methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC([NH+]1CC2=CC=CC=C2F)CCO)CC3=CN=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations