Geometry & MOs

Info

ID:	175582
PubChem CID:	75924676
Reduced:	BrN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	392.327703
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	4.21
IP(EA), eV:	-9.56(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,2-dimethyl-1-[3-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCCC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations