Geometry & MOs

Info

ID:	128900
PubChem CID:	51062884
Reduced:	BrO2N4F6H17C23 (1)
Stoich.:	AB2C4D6E17F23 (1)
Weight, g/mol:	410.329714
ΔH_f, kcal/mol:	-345.72
Dipole, Da:	4.08
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hexadecoxy-4,5-dihydro-1H-benzo[g]indazole

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations