Geometry & MOs

Info

ID:	193625
PubChem CID:	78414994
Reduced:	ClO2N4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	3.61
IP(EA), eV:	-9.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-4-oxoquinolin-3-ylidene)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NCC(C2=O)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations