Geometry & MOs

Info

ID:	80134
PubChem CID:	49833196
Reduced:	FN2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-117.65
Dipole, Da:	3.49
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-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

C[C@H](C1=CC(=C(C=C1)F)OC)N[C@H]2CCC(C2)C3=CC=C(C=C3)C(=O)N(C)C4COC4

DOS

IR

Vibrations