Geometry & MOs

Info

ID:	160949
PubChem CID:	57390343
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	390.0796
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	4.48
IP(EA), eV:	-9.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CN(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations