Geometry & MOs

Info

ID:	155152
PubChem CID:	56320847
Reduced:	F3N4O4H23C24 (1)
Stoich.:	A3B4C4D23E24 (1)
Weight, g/mol:	418.129549
ΔH_f, kcal/mol:	-247.61
Dipole, Da:	2.96
IP(EA), eV:	-9.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations