Geometry & MOs

Info

ID:	164769
PubChem CID:	74449777
Reduced:	O2N5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	330.206919
ΔH_f, kcal/mol:	-3.32
Dipole, Da:	6.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.846492
Charge, e:	1

Chem-info

IUPAC name:

[3-benzyl-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NC=CN=C3

DOS

IR

Vibrations