Geometry & MOs

Info

ID:	263493
PubChem CID:	103371908
Reduced:	ON2F3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	278.196983
ΔH_f, kcal/mol:	-192.72
Dipole, Da:	2.92
IP(EA), eV:	-8.12(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylcyclohexyl)-6-(trifluoromethyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N2CCNCC(C2)C(F)(F)F

DOS

IR

Vibrations