Geometry & MOs

Info

ID:	172500
PubChem CID:	75516728
Reduced:	OSN3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	78.45
Dipole, Da:	2.2
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chloro-2-ethoxyanilino)piperidin-1-yl]-(furan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2C=CN=C2C3=CC=CS3

DOS

IR

Vibrations