Geometry & MOs

Info

ID:	83921
PubChem CID:	49862565
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	367.191421
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	7.12
IP(EA), eV:	-8.18(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-[4-(3,4,5-trimethoxyphenyl)but-3-ynyl]piperidin-1-ium;chloride

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=CN(C3=C2C=CC=C3OC)CC4CCCCC4

DOS

IR

Vibrations