Geometry & MOs

Info

ID:	207596
PubChem CID:	80423783
Reduced:	FNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	4.4
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(2-propan-2-yloxyphenyl)azepane

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=CC=CC=C2OC(C)C)N)F

DOS

IR

Vibrations