Geometry & MOs

Info

ID:	80482
PubChem CID:	49834673
Reduced:	NOSC17H25 (1)
Stoich.:	ABCD17E25 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	3.81
IP(EA), eV:	-9.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

CCCCCCC/C=C/C=C/C(=O)NCC1=CSC=C1

DOS

IR

Vibrations