Geometry & MOs

Info

ID:	410086
PubChem CID:	135082875
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	283.137242
ΔH_f, kcal/mol:	-154.97
Dipole, Da:	5.27
IP(EA), eV:	-8.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorobenzo[b][1]benzoxepin-5-yl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCC[C@]1(C2=NC3=C(C=C(C=CO3)OC)C(=O)N2[C@@H](C(=O)N1)C)OC

DOS

IR

Vibrations