Geometry & MOs

Info

ID:	175270
PubChem CID:	75877198
Reduced:	ON4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	35.64
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.378510
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations