Geometry & MOs

Info

ID:	195864
PubChem CID:	78743256
Reduced:	N3O3C22H28 (1)
Stoich.:	A3B3C22D28 (1)
Weight, g/mol:	426.13923
ΔH_f, kcal/mol:	-8.73
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022795
Charge, e:	1

Chem-info

IUPAC name:

1-(4-bromophenyl)propyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CON=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations