Geometry & MOs

Info

ID:	294962
PubChem CID:	117509426
Reduced:	NC23H37 (1)
Stoich.:	AB23C37 (1)
Weight, g/mol:	327.00187
ΔH_f, kcal/mol:	-39.05
Dipole, Da:	1.82
IP(EA), eV:	-8.87(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-bromo-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C2=CC=C(C=C2)C3(CCCCC3)CN

DOS

IR

Vibrations