Geometry & MOs

Info

ID:	311550
PubChem CID:	126593793
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	430.144119
ΔH_f, kcal/mol:	48.21
Dipole, Da:	5.17
IP(EA), eV:	-9.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-fluorophenyl)-5,7-dimethyl-2-(methylcarbamoyl)quinolin-6-yl]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=NC=NC2)N

DOS

IR

Vibrations