Geometry & MOs

Info

ID:	175269
PubChem CID:	75876736
Reduced:	O2N4C23H33 (1)
Stoich.:	A2B4C23D33 (1)
Weight, g/mol:	361.202836
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.916797
Charge, e:	1

Chem-info

IUPAC name:

1-(1-benzylpiperidin-1-ium-3-yl)-3-quinolin-8-ylurea

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=CC=CC=C1N2CCCCC2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations