Geometry & MOs

Info

ID:

173866

PubChem CID:

75691315

Reduced:

ON5C18H20 (1)

Stoich.:

AB5C18D20 (1)

Weight, g/mol:

332.257612

ΔHf, kcal/mol:

57.28

Dipole, Da:

4.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.797755

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(diethylamino)propyl]-3-(2-piperidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)NCC[N+]3=CNC=C3

DOS

IR

Vibrations