Geometry & MOs

Info

ID:	446281
PubChem CID:	135273749
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	4.77
IP(EA), eV:	-8.67(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole

Drug info:

PubChemData

Smile

CCCN(CCC)CC1=CC=CC(=C1)CC(=O)C

DOS

IR

Vibrations