Geometry & MOs

Info

ID:	263429
PubChem CID:	103366576
Reduced:	OF3N3C8H10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	294.191898
ΔH_f, kcal/mol:	-165.19
Dipole, Da:	3.35
IP(EA), eV:	-9.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-tert-butylazepan-2-one

Drug info:

PubChemData

Smile

C1=CC(=O)N(N=C1)CC(CN)C(F)(F)F

DOS

IR

Vibrations