Geometry & MOs

Info

ID:	193624
PubChem CID:	78414480
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	336.135304
ΔH_f, kcal/mol:	11.38
Dipole, Da:	1.98
IP(EA), eV:	-9.21(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=NC(=O)C3C=CC=CC3=N2)C(=O)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations