Geometry & MOs

Info

ID:	377025
PubChem CID:	134223060
Reduced:	BrC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	1.53
IP(EA), eV:	-9.03(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCCC2)C=C1)Br

DOS

IR

Vibrations