Geometry & MOs

Info

ID:	429564
PubChem CID:	135169613
Reduced:	O2N5H29C50 (1)
Stoich.:	A2B5C29D50 (1)
Weight, g/mol:	296.151176
ΔH_f, kcal/mol:	225.8
Dipole, Da:	2.06
IP(EA), eV:	-8.28(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-1-(azepan-1-yl)-2,3,3,3-tetrafluoroprop-1-enyl]morpholine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=CC=CC=C5OC4=CC=C3)C6=CC(=CC=C6)N7C8=C(C=CC9=CC=CC=C98)C1=C7C2=C(C=C1)N=C(O2)C1=CC=CC=C1

DOS

IR

Vibrations