Geometry & MOs

Info

ID:	439170
PubChem CID:	135228935
Reduced:	N2C29H46 (1)
Stoich.:	A2B29C46 (1)
Weight, g/mol:	528.15058
ΔH_f, kcal/mol:	33.81
Dipole, Da:	0.92
IP(EA), eV:	-8.07(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(2-amino-3-nitropyridin-4-yl)oxyquinolin-5-yl]-3-[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN(CCC(C)CCC(C)C1C=CC=CC1/C(=C/N=CC)/C)C(=C)/C(=C/C=C\C)/C

DOS

IR

Vibrations