Geometry & MOs

Info

ID:	168336
PubChem CID:	74953948
Reduced:	O3N4C23H40 (1)
Stoich.:	A3B4C23D40 (1)
Weight, g/mol:	443.268511
ΔH_f, kcal/mol:	-185.01
Dipole, Da:	9.47
IP(EA), eV:	-8.41(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(1-propan-2-ylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)N3C4CCCCC4CNC3=O

DOS

IR

Vibrations