Geometry & MOs

Info

ID:	46418
PubChem CID:	10524347
Reduced:	N2C14H21 (1)
Stoich.:	A2B14C21 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	48.66
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751833
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-ylmethylsulfanyl)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1CC2)CCC3=CC=CC=N3

DOS

IR

Vibrations