Geometry & MOs

Info

ID:	55120
PubChem CID:	17389787
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	293.12029
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	2.83
IP(EA), eV:	-8.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1,2,2,2-pentafluoroethyl)-2-phenylazepane

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(NC3=CC=CC=C32)CCCCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations