Geometry & MOs

Info

ID:	80510
PubChem CID:	49834846
Reduced:	IN3O5C32H40 (1)
Stoich.:	AB3C5D32E40 (1)
Weight, g/mol:	546.296796
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	7.9
IP(EA), eV:	-8.13(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[4-[4-(3-ethoxy-4-hydroxyanilino)-4-oxobutyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NC(=O)CCCC2=CC(=C(C=C2)NC(=O)OC3CC[N+](CC3)(C)C)C4=CC=CC=C4)[O-].I

DOS

IR

Vibrations