Geometry & MOs

Info

ID:	153291
PubChem CID:	56312469
Reduced:	FN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	442.169112
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CCOC2=CC=CC(=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations