Geometry & MOs

Info

ID:	378136
PubChem CID:	134224210
Reduced:	N4H32C47 (1)
Stoich.:	A4B32C47 (1)
Weight, g/mol:	426.109483
ΔH_f, kcal/mol:	287.55
Dipole, Da:	0.99
IP(EA), eV:	-8.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-[7-methoxy-6-(nitrosomethyl)quinolin-4-yl]oxyphenyl]-3-cyclopropylurea

Drug info:

PubChemData

Smile

C=C1/C=C\C=C/CC2=CC=CC=C2C13C4=C(C5=CC=CC=C35)C6=C(C=C4)C7=CC=CC=C7N6C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations