Geometry & MOs

Info

ID:	248610
PubChem CID:	103083019
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	2.5
IP(EA), eV:	-8.88(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-N-(3-methoxycyclopentyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC2CCC(C2)OC

DOS

IR

Vibrations