Geometry & MOs

Info

ID:	154305
PubChem CID:	56313718
Reduced:	FN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	484.174055
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	3.83
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations