Geometry & MOs

Info

ID:	134212
PubChem CID:	51663023
Reduced:	OF3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	244.097368
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	22.43
IP(EA), eV:	-5.23(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoate

Drug info:

PubChemData

Smile

C1C[NH+](CCC1[N+]2=CNC=C2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations