Geometry & MOs

Info

ID:	80168
PubChem CID:	49833360
Reduced:	ClIN3O4C30H35 (1)
Stoich.:	ABC3D4E30F35 (1)
Weight, g/mol:	536.231609
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	4.13
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[5-[3-[3-chloro-4-(hydroxymethyl)anilino]-3-oxopropyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations