Geometry & MOs

Info

ID:	175778
PubChem CID:	75945625
Reduced:	N3O3C22H39 (1)
Stoich.:	A3B3C22D39 (1)
Weight, g/mol:	410.14431
ΔH_f, kcal/mol:	-195.05
Dipole, Da:	5.51
IP(EA), eV:	-9.07(0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[1-[3-(4-bromoanilino)-3-oxopropyl]piperidin-1-ium-3-yl]methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1(CCCCC1)NC(=O)C2CCCN(C2)C(=O)C(C)(C)C

DOS

IR

Vibrations