Geometry & MOs

Info

ID:	66058
PubChem CID:	46490922
Reduced:	BrN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-179.05
Dipole, Da:	4.75
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C(C)OC2=C(C=C(C=C2)C)Br

DOS

IR

Vibrations