Geometry & MOs

Info

ID:	198559
PubChem CID:	79119083
Reduced:	NC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	287.149699
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	1.43
IP(EA), eV:	-8.59(3.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[2-(trifluoromethoxy)phenyl]azepane

Drug info:

PubChemData

Smile

CCC1CCCC(C1)C2(CCCCCN2)CC

DOS

IR

Vibrations