Geometry & MOs

Info

ID:	153363
PubChem CID:	56312549
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	470.148713
ΔH_f, kcal/mol:	-113.35
Dipole, Da:	5.96
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F

DOS

IR

Vibrations