Geometry & MOs

Info

ID:	446559
PubChem CID:	135276006
Reduced:	ClFNO2H17C20 (1)
Stoich.:	ABCD2E17F20 (1)
Weight, g/mol:	435.201888
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	3.7
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C=CC(=C1C2=CC=C(C=C2)F)C3=C(C=CC(=C3)OC)Cl

DOS

IR

Vibrations