Geometry & MOs

Info

ID:	154842
PubChem CID:	56314384
Reduced:	N2F3O4C26H29 (1)
Stoich.:	A2B3C4D26E29 (1)
Weight, g/mol:	475.190734
ΔH_f, kcal/mol:	-276.49
Dipole, Da:	5.9
IP(EA), eV:	-8.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C(=O)CCC4=CC(=C(C=C4)OCC(F)(F)F)OC

DOS

IR

Vibrations