Geometry & MOs

Info

ID:	185313
PubChem CID:	77284895
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	460.167747
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	7.94
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-aminoethyl)-3,6-dihydro-2H-pyridin-4-yl]-7-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]furo[3,2-c]pyridin-6-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2C3C=C(SC3NN2)C(=O)NCC4=CC=CC=C4OC

DOS

IR

Vibrations