Geometry & MOs

Info

ID:	282419
PubChem CID:	103926269
Reduced:	FNOSC15H22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	305.181336
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	2.12
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylsulfanylcyclopentyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1F)OC)NC2CCC(C2)SC

DOS

IR

Vibrations