Geometry & MOs

Info

ID:	348867
PubChem CID:	127274515
Reduced:	BrNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	3.41
IP(EA), eV:	-9.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=COC(=C2)Br

DOS

IR

Vibrations