Geometry & MOs

Info

ID:	198560
PubChem CID:	79119088
Reduced:	NOF3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	245.21435
ΔH_f, kcal/mol:	-201.19
Dipole, Da:	3.89
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(4-propan-2-ylphenyl)azepane

Drug info:

PubChemData

Smile

CCC1(CCCCCN1)C2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations