Geometry & MOs

Info

ID:	268240
PubChem CID:	103598559
Reduced:	ON2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	63.41
Dipole, Da:	6.04
IP(EA), eV:	-9.23(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypiperidin-1-yl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(C1NC(=O)C=CC2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations