Geometry & MOs

Info

ID:	26354
PubChem CID:	645319
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	452.197904
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	5.1
IP(EA), eV:	-9.34(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations