Geometry & MOs

Info

ID:	166408
PubChem CID:	74685309
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	206.154489
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	6.25
IP(EA), eV:	-8.89(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl]piperidin-1-ium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2C3C(NC4=C2C(=O)C5=CC=CC=C54)N(C(=O)NC3=O)CCOC

DOS

IR

Vibrations