Geometry & MOs

Info

ID:	429673
PubChem CID:	135169723
Reduced:	N2F10C11H12 (1)
Stoich.:	A2B10C11D12 (1)
Weight, g/mol:	312.087274
ΔH_f, kcal/mol:	-507.53
Dipole, Da:	6.89
IP(EA), eV:	-9.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine

Drug info:

PubChemData

Smile

C1CCCN(CC1)/C(=C(/C(F)(F)F)\F)/N(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations