Geometry & MOs

Info

ID:	187107
PubChem CID:	77530341
Reduced:	SCl2O5N6C18H18 (1)
Stoich.:	AB2C5D6E18F18 (1)
Weight, g/mol:	439.238353
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	8.41
IP(EA), eV:	-9.24(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-(3-fluorophenyl)propan-2-yloxy]-3-(3-piperidin-4-ylpyrazolidin-4-yl)furo[3,2-c]pyridin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C(=O)NC2CCN(CC2OC)C3=NC(=C(S3)C(=O)O)C4=NN=CO4)Cl)Cl

DOS

IR

Vibrations