Geometry & MOs

Info

ID:	7158
PubChem CID:	71421
Reduced:	ClN2O3C29H33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	492.217971
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	3.24
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations