Geometry & MOs

Info

ID:	170725
PubChem CID:	75271464
Reduced:	ClFO2N3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	3.59
IP(EA), eV:	-8.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(8-fluoro-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations