Geometry & MOs

Info

ID:	170724
PubChem CID:	75271463
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	399.114983
ΔH_f, kcal/mol:	-65.2
Dipole, Da:	4.91
IP(EA), eV:	-8.59(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(8-fluoro-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCC3=NC4=C(C=C(C=C4)F)C(=O)C3C2

DOS

IR

Vibrations