Geometry & MOs

Info

ID:	80479
PubChem CID:	49834655
Reduced:	IN4O4C29H35 (1)
Stoich.:	AB4C4D29E35 (1)
Weight, g/mol:	566.301882
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	16.14
IP(EA), eV:	-8.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[4-[4-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-4-oxobutyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)OC(=O)NC2=C(C=C(C=C2)CCC(=O)NC3=NC=C(C=C3)C[O-])C4=CC=CC=C4)C.I

DOS

IR

Vibrations