Geometry & MOs

Info

ID:	335574
PubChem CID:	127254436
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	364.097168
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	4.43
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-N-(3-methyl-4-oxoquinazolin-6-yl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)N2CCC(CC2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations