Geometry & MOs

Info

ID:	219537
PubChem CID:	85149150
Reduced:	ON2C11H12 (3)
Stoich.:	AB2C11D12 (3)
Weight, g/mol:	564.367556
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	3.59
IP(EA), eV:	-8.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[4-(3-acetamidopyrrolidin-1-yl)butoxy]butyl]-4-methylpiperidin-4-yl] N-(2-phenylphenyl)carbamate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NC(=O)C(CC5=CC=CC=C5)N6CCOCC6

DOS

IR

Vibrations