Geometry & MOs

Info

ID:	429672
PubChem CID:	135169722
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	362.08408
ΔH_f, kcal/mol:	49.49
Dipole, Da:	5.02
IP(EA), eV:	-8.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(azepan-1-yl)-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine

Drug info:

PubChemData

Smile

CCC1=CN(N=C1)C2=C(C=C(C=C2)NC)Cl

DOS

IR

Vibrations